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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S/c1-14(19(28)24-20(29)23-12-15-6-3-2-4-7-15)30-21-26-25-18(27(21)17-9-10-17)16-8-5-11-22-13-16/h2-8,11,13-14,17H,9-10,12H2,1H3,(H2,23,24,28,29)