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

Systemtic Name: methyl N-[(2R)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[(4-allyl-5-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(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3S/c1-4-10-20-13(12-8-6-5-7-9-12)18-19-15(20)24-11(2)14(21)17-16(22)23-3/h4-9,11H,1,10H2,2-3H3,(H,17,21,22)/t11-/m1/s1