2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C29H29N5O3S2 MolecularWeight: 559.70226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H29N5O3S2/c1-21-15-16-24(19-25(21)39(36,37)34-17-9-4-10-18-34)30-26(35)20-38-29-31-27(22-11-5-2-6-12-22)28(32-33-29)23-13-7-3-8-14-23/h2-3,5-8,11-16,19H,4,9-10,17-18,20H2,1H3,(H,30,35)