N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C16H11Cl2N5O3S MolecularWeight: 424.26124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11Cl2N5O3S/c17-12-6-5-11(7-13(12)18)22-14(20-21-16(22)27)8-19-15(24)9-1-3-10(4-2-9)23(25)26/h1-7H,8H2,(H,19,24)(H,21,27)