[2-oxidanylidene-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] morpholine-4-carbodithioate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] morpholine-4-carbodithioate Openeye Name: [2-oxo-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [2-oxo-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-keto-2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)ethyl] ester Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)SC(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

C1COCCN1C(=S)SC(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C21H20N4O2S2/c26-19(18-8-6-17(7-9-18)16-4-2-1-3-5-16)20(25-15-22-14-23-25)29-21(28)24-10-12-27-13-11-24/h1-9,14-15,20H,10-13H2