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

Systemtic Name: N-(4-methylphenyl)-2-[[5-oxidanylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-oxo-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[[5-oxo-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-keto-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-11-5-7-13(8-6-11)18-15(22)12(2)25-17-20-19-16(23)21(17)10-14-4-3-9-24-14/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,22)(H,19,23)