(2R)-2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide

Systemtic Name: (2R)-2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide Openeye Name: (2R)-2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide CAS Name: (2R)-2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(2-methoxyphenyl)butanamide IUPAC Name: (2R)-2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide Traditional Name: (2R)-2-[(5-butyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(2-methoxyphenyl)butyramide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SC(CC)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)S[C@H](CC)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C24H27N5O2S/c1-4-6-15-29-18-13-9-7-11-16(18)21-22(29)26-24(28-27-21)32-20(5-2)23(30)25-17-12-8-10-14-19(17)31-3/h7-14,20H,4-6,15H2,1-3H3,(H,25,30)/t20-/m1/s1