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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C19H24N4O3S/c1-5-10-23-17(13-6-7-13)21-22-19(23)27-12(2)18(24)20-14-8-9-15(25-3)16(11-14)26-4/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,24)