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

Systemtic Name: N-(2-bromophenyl)-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)propanamide CAS Name: N-(2-bromophenyl)-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-bromophenyl)propionamide Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C15H17BrN4OS/c1-3-9-20-11(2)18-19-15(20)22-10-8-14(21)17-13-7-5-4-6-12(13)16/h3-7H,1,8-10H2,2H3,(H,17,21)