3-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)CC3=CC=CC=C3

InChI

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