dimethyl (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]but-2-enedioate CAS Name: (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]but-2-enedioate Traditional Name: (Z)-2-[(5-phenyl-1,2,4-triazin-3-yl)thio]but-2-enedioic acid dimethyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)SC1=NC(=CN=N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\SC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O4S/c1-21-13(19)8-12(14(20)22-2)23-15-17-11(9-16-18-15)10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8-