methyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: methyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: methyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acrylic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)SC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(=C)SC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C12H12N4O2S/c1-8(11(17)18-2)19-12-15-14-10(16(12)13)9-6-4-3-5-7-9/h3-7H,1,13H2,2H3