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

Systemtic Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-bromophenyl)methyl]-N-methyl-acetamide CAS Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromobenzyl)-N-methyl-acetamide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4OS/c1-3-10-23-17(14-6-7-14)20-21-18(23)25-12-16(24)22(2)11-13-4-8-15(19)9-5-13/h3-5,8-9,14H,1,6-7,10-12H2,2H3