2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: 2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[[5-methyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[[5-methyl-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[[5-methyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3CCCO3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3CCCO3)C

InChI

InChI=1S/C18H24N4O2S/c1-12-6-8-15(9-7-12)19-17(23)13(2)25-18-21-20-14(3)22(18)11-16-5-4-10-24-16/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,19,23)