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

Systemtic Name: 3-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S/c22-18(28)10-12-26(16-6-2-1-3-7-16)19(29)14-30-21-25-24-20(27(21)17-8-9-17)15-5-4-11-23-13-15/h1-7,11,13,17H,8-10,12,14H2,(H2,22,28)