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

Systemtic Name: 4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6O2S/c1-12(19(28)23-15-4-2-13(3-5-15)17(21)27)29-20-25-24-18(26(20)16-6-7-16)14-8-10-22-11-9-14/h2-5,8-12,16H,6-7H2,1H3,(H2,21,27)(H,23,28)