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

Systemtic Name: N-cyclopropyl-3-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C22H22N6O2S/c29-19(24-17-3-1-2-15(12-17)21(30)25-16-4-5-16)13-31-22-27-26-20(28(22)18-6-7-18)14-8-10-23-11-9-14/h1-3,8-12,16,18H,4-7,13H2,(H,24,29)(H,25,30)