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

Systemtic Name: N-(2-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(o-tolyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(o-tolyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-11-6-3-4-8-14(11)18-16(22)12(2)24-17-19-15(20-21-17)10-13-7-5-9-23-13/h3-9,12H,10H2,1-2H3,(H,18,22)(H,19,20,21)