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

Systemtic Name: 3-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]propionamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H24N6O2S/c23-19(29)10-12-27(14-16-5-2-1-3-6-16)20(30)15-31-22-26-25-21(28(22)18-8-9-18)17-7-4-11-24-13-17/h1-7,11,13,18H,8-10,12,14-15H2,(H2,23,29)