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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSC1=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/c1-18-10(17)7-8-19-12-15-14-11(16(12)13)9-5-3-2-4-6-9/h2-8H,13H2,1H3/b8-7+