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

Systemtic Name: methyl N-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]carbamic acid methyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S/c1-10(14(21)18-16(22)23-2)24-15-17-13(11-8-9-11)20(19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21,22)/t10-/m1/s1