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

Systemtic Name: methyl N-[(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]carbamic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-9(12(19)15-14(20)21-3)22-13-17-16-11(18(13)2)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,19,20)/t9-/m1/s1