2-nitro-4-[[[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-nitro-4-[[[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 2-nitro-4-[[[3-(phenylmethylthio)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c22-14-7-6-12(8-13(14)21(23)24)9-17-20-15(25)18-19-16(20)26-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,25)