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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4OS/c1-11-3-4-13(9-12(11)2)17(24)20-10-16-21-22-18(25)23(16)15-7-5-14(19)6-8-15/h3-9H,10H2,1-2H3,(H,20,24)(H,22,25)