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

Systemtic Name: 4-[[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=NN=C(N1C2CC2)S[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H19N5O2S/c1-9(24-16-20-19-10(2)21(16)13-7-8-13)15(23)18-12-5-3-11(4-6-12)14(17)22/h3-6,9,13H,7-8H2,1-2H3,(H2,17,22)(H,18,23)/t9-/m1/s1