N-(4-bromanyl-2-methyl-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-methyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H16BrN5OS MolecularWeight: 406.30014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C

InChI

InChI=1S/C16H16BrN5OS/c1-11-9-13(17)5-6-14(11)18-15(23)10-24-16-20-19-12(2)22(16)21-7-3-4-8-21/h3-9H,10H2,1-2H3,(H,18,23)