4-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-benzyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-benzyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C3C=CC(=O)C=C3)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C3C=CC(=O)C=C3)NNC2=S

InChI

InChI=1S/C15H13N3OS/c19-13-8-6-12(7-9-13)14-16-17-15(20)18(14)10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)