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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-benzyl-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-14(19(26)22-13-15-5-3-2-4-6-15)27-20-24-23-18(25(20)17-7-8-17)16-9-11-21-12-10-16/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,22,26)