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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-veratryl-propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-14(21(28)24-12-15-6-9-18(29-2)19(11-15)30-3)31-22-26-25-20(27(22)17-7-8-17)16-5-4-10-23-13-16/h4-6,9-11,13-14,17H,7-8,12H2,1-3H3,(H,24,28)