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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c1-11-3-2-4-12(9-11)16(23)19-10-15-20-21-17(24)22(15)14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H,19,23)(H,21,24)