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

Systemtic Name: ethyl 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N4O3S2 MolecularWeight: 518.65034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C27H26N4O3S2/c1-4-20-17(3)22(26(33)34-5-2)25(36-20)28-21(32)16-35-27-29-23(18-12-8-6-9-13-18)24(30-31-27)19-14-10-7-11-15-19/h6-15H,4-5,16H2,1-3H3,(H,28,32)