chloranylruthenium(1+); N-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-N'-phenyl-carbamimidothioate; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); N-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-N'-phenyl-carbamimidothioate; triphenylphosphane Openeye Name: chlororuthenium(1+); N-[[(Z)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]-N'-phenyl-carbamimidothioate; triphenylphosphane CAS Name: chlororuthenium(1+); N-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]-N'-phenylcarbamimidothioate; triphenylphosphine IUPAC Name: chlororuthenium(1+); N-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]-N'-phenylcarbamimidothioate; triphenylphosphane Traditional Name: chlororuthenium(1+); N-[[(Z)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]-N'-phenyl-carbamimidothioate; triphenylphosphine Formula: C48H44ClN3O2P2RuS MolecularWeight: 925.417382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NNC(=NC1=CC=CC=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]

Isomeric SMILES

C/C(=C/C(=O)OC)/NNC(=NC1=CC=CC=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]

InChI

InChI=1S/2C18H15P.C12H15N3O2S.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(8-11(16)17-2)14-15-12(18)13-10-6-4-3-5-7-10;;/h2*1-15H;3-8,14H,1-2H3,(H2,13,15,18);1H;/q;;;;+2/p-2/b;;9-8-;;