ethyl 5-azanyl-4-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C24H19N5O2S2 MolecularWeight: 473.56996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N5O2S2/c1-2-31-23(30)21-18(17(13-25)22(26)33-21)14-32-24-27-19(15-9-5-3-6-10-15)20(28-29-24)16-11-7-4-8-12-16/h3-12H,2,14,26H2,1H3