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

Systemtic Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-11-3-4-13(9-12(11)2)17(24)19-10-16-20-21-18(27)22(16)14-5-7-15(8-6-14)23(25)26/h3-9H,10H2,1-2H3,(H,19,24)(H,21,27)