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

Systemtic Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C16H12ClN5O3S MolecularWeight: 389.81618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN5O3S/c17-12-3-1-2-4-13(12)21-14(19-20-16(21)26)9-18-15(23)10-5-7-11(8-6-10)22(24)25/h1-8H,9H2,(H,18,23)(H,20,26)