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

Systemtic Name: 4-[[(2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]amino]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=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N6O2S/c1-12(19(28)23-15-6-4-13(5-7-15)17(21)27)29-20-25-24-18(26(20)16-8-9-16)14-3-2-10-22-11-14/h2-7,10-12,16H,8-9H2,1H3,(H2,21,27)(H,23,28)/t12-/m1/s1