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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-19(28)23-16-7-5-14(6-8-16)18(27)13-29-21-25-24-20(26(21)17-9-10-17)15-4-3-11-22-12-15/h3-8,11-12,17H,2,9-10,13H2,1H3,(H,23,28)