2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: N-benzyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O2S/c1-14(19(25)24(2)13-15-7-5-4-6-8-15)27-20-21-18(22-23-20)16-9-11-17(26-3)12-10-16/h4-12,14H,13H2,1-3H3,(H,21,22,23)