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

Systemtic Name: methyl 3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O3S/c1-17-13-14-20(25(32)33-2)15-21(17)27-22(31)16-34-26-28-23(18-9-5-3-6-10-18)24(29-30-26)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3,(H,27,31)