chloranylruthenium(1+); 2-methyl-7-phenyl-3-sulfanylidene-6H-1,2,4-triazepin-5-olate; 1-methyl-4-propan-2-yl-benzene

Systemtic Name: chloranylruthenium(1+); 2-methyl-7-phenyl-3-sulfanylidene-6H-1,2,4-triazepin-5-olate; 1-methyl-4-propan-2-yl-benzene Openeye Name: chlororuthenium(1+); 1-isopropyl-4-methyl-benzene; 2-methyl-7-phenyl-3-thioxo-6H-1,2,4-triazepin-5-olate CAS Name: chlororuthenium(1+); 2-methyl-7-phenyl-3-sulfanylidene-6H-1,2,4-triazepin-5-olate; 1-methyl-4-propan-2-ylbenzene IUPAC Name: chlororuthenium(1+); 2-methyl-7-phenyl-3-sulfanylidene-6H-1,2,4-triazepin-5-olate; 1-methyl-4-propan-2-ylbenzene Traditional Name: chlororuthenium(1+); 2-methyl-7-phenyl-3-thioxo-6H-1,2,4-triazepin-5-olate; p-cymene Formula: C21H24ClN3ORuS MolecularWeight: 503.02276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.CN1C(=S)N=C(CC(=N1)C2=CC=CC=C2)[O-].Cl[Ru+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CN1C(=S)N=C(CC(=N1)C2=CC=CC=C2)[O-].Cl[Ru+]

InChI

InChI=1S/C11H11N3OS.C10H14.ClH.Ru/c1-14-11(16)12-10(15)7-9(13-14)8-5-3-2-4-6-8;1-8(2)10-6-4-9(3)5-7-10;;/h2-6H,7H2,1H3,(H,12,15,16);4-8H,1-3H3;1H;/q;;;+2/p-2