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

Systemtic Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-14-18-22-23-20(24(18)16-8-4-3-5-9-16)28-12-11-19(25)21-15-7-6-10-17(13-15)27-2/h3-10,13H,11-12,14H2,1-2H3,(H,21,25)