ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylcarbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylcarbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylcarbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylcarbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]carbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H25N5O4S2 MolecularWeight: 595.6913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N5O4S2/c1-3-40-29(38)23-19(2)26(27(37)32-22-17-11-6-12-18-22)41-28(23)34-31(39)42-30-33-24(20-13-7-4-8-14-20)25(35-36-30)21-15-9-5-10-16-21/h4-18H,3H2,1-2H3,(H,32,37)(H,34,39)