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

Systemtic Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O2S/c1-3-18-22-23-20(24(18)16-7-5-4-6-8-16)27-14-13-19(25)21-15-9-11-17(26-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,21,25)