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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O2S/c1-4-7-21-14(9-23-3)19-20-16(21)24-10-15(22)18-13-6-5-12(17)8-11(13)2/h4-6,8H,1,7,9-10H2,2-3H3,(H,18,22)