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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide Traditional Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]benzamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H21N5O2S/c31-22(17-6-8-20(9-7-17)27-24(32)19-4-2-1-3-5-19)16-33-25-29-28-23(30(25)21-10-11-21)18-12-14-26-15-13-18/h1-9,12-15,21H,10-11,16H2,(H,27,32)