phenyl-[5-phenyl-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepin-7-yl]methanone

Systemtic Name: phenyl-[5-phenyl-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepin-7-yl]methanone Openeye Name: (4-benzyl-5-phenyl-3-thioxo-2H-1,2,4-triazepin-7-yl)-phenyl-methanone CAS Name: phenyl-[5-phenyl-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepin-7-yl]methanone IUPAC Name: (4-benzyl-5-phenyl-3-sulfanylidene-2H-1,2,4-triazepin-7-yl)-phenylmethanone Traditional Name: (4-benzyl-5-phenyl-3-thioxo-2H-1,2,4-triazepin-7-yl)-phenyl-methanone Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=NNC2=S)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=NNC2=S)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3OS/c28-23(20-14-8-3-9-15-20)21-16-22(19-12-6-2-7-13-19)27(24(29)26-25-21)17-18-10-4-1-5-11-18/h1-16H,17H2,(H,26,29)