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

Systemtic Name: methyl N-[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]carbamic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)SC1=NN=C(N1C)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NN=C(N1C)C2=CC=NC=C2

InChI

InChI=1S/C13H15N5O3S/c1-8(11(19)15-13(20)21-3)22-12-17-16-10(18(12)2)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,15,19,20)/t8-/m1/s1