N-hexyl-5-[[8-methyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide

Systemtic Name: N-hexyl-5-[[8-methyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[(5-benzyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-hexyl-pentanamide CAS Name: N-hexyl-5-[[8-methyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]pentanamide IUPAC Name: 5-[(5-benzyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-hexylpentanamide Traditional Name: 5-[(5-benzyl-8-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-hexyl-valeramide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCCSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCCCNC(=O)CCCCSC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C28H35N5OS/c1-3-4-5-10-17-29-25(34)14-9-11-18-35-28-30-27-26(31-32-28)23-19-21(2)15-16-24(23)33(27)20-22-12-7-6-8-13-22/h6-8,12-13,15-16,19H,3-5,9-11,14,17-18,20H2,1-2H3,(H,29,34)