methyl N-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate Openeye Name: methyl N-[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate CAS Name: N-[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate Traditional Name: N-[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]carbamic acid methyl ester Formula: C9H12N4O3S MolecularWeight: 256.28158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)CSC1=NN=CN1CC=C

Isomeric SMILES

COC(=O)NC(=O)CSC1=NN=CN1CC=C

InChI

InChI=1S/C9H12N4O3S/c1-3-4-13-6-10-12-8(13)17-5-7(14)11-9(15)16-2/h3,6H,1,4-5H2,2H3,(H,11,14,15)