N-(3-methoxyphenyl)-2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

InChI

InChI=1S/C20H22N4O3S/c1-27-17-10-5-7-15(13-17)21-19(26)14-28-20-23-22-18(11-6-12-25)24(20)16-8-3-2-4-9-16/h2-5,7-10,13,25H,6,11-12,14H2,1H3,(H,21,26)