2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H19BrN4OS/c1-14-8-17(20)6-7-18(14)26-11-19(25)22-9-15-2-4-16(5-3-15)10-24-13-21-12-23-24/h2-8,12-13H,9-11H2,1H3,(H,22,25)