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

Systemtic Name: N-(4-ethoxyphenyl)-3-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C)C(C)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-4-28-18-12-10-17(11-13-18)23-20(27)14-15-30-22-25-24-21(26(22)3)16(2)29-19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3,(H,23,27)