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

Systemtic Name: 4-[[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]amino]benzamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S/c1-11(17(26)21-14-5-3-12(4-6-14)15(19)25)27-18-23-22-16(24(18)2)13-7-9-20-10-8-13/h3-11H,1-2H3,(H2,19,25)(H,21,26)/t11-/m1/s1