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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O3S/c1-10-5-6-11(7-14(10)23(25)26)16(24)19-9-15-20-21-17(27)22(15)13-4-2-3-12(18)8-13/h2-8H,9H2,1H3,(H,19,24)(H,21,27)