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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-o-anisyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-14(20(27)23-13-16-5-3-4-6-18(16)28-2)29-21-25-24-19(26(21)17-7-8-17)15-9-11-22-12-10-15/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,23,27)