3-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NNC(=S)N3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NNC(=S)N3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S2/c22-16-19(12-3-1-2-4-13(12)26-16)9-14-17-18-15(25)20(14)10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,25)