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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C17H19BrN4OS MolecularWeight: 407.32796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C17H19BrN4OS/c1-3-8-22-16(12-4-5-12)20-21-17(22)24-10-15(23)19-14-7-6-13(18)9-11(14)2/h3,6-7,9,12H,1,4-5,8,10H2,2H3,(H,19,23)