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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-14(21(27)23-16-11-12-18(28-2)19(13-16)29-3)30-22-24-20(15-9-10-15)26(25-22)17-7-5-4-6-8-17/h4-8,11-15H,9-10H2,1-3H3,(H,23,27)