2-[[4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(4-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-14(2)26-17-10-8-16(9-11-17)19-22-23-20(27-13-18(21)25)24(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,21,25)