3-[2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name: 3-[2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanoylamino]benzoic acid Openeye Name: 3-[2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanoylamino]benzoic acid Traditional Name: 3-[2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butanoylamino]benzoic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-2-17(18(25)22-15-10-6-9-14(11-15)19(26)27)28-20-21-12-16(23-24-20)13-7-4-3-5-8-13/h3-12,17H,2H2,1H3,(H,22,25)(H,26,27)