3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC(=O)N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC(=O)N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-11(2)10-20-15(12-4-6-13(22-3)7-5-12)18-19-16(20)23-9-8-14(17)21/h4-7,11H,8-10H2,1-3H3,(H2,17,21)