N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]butyramide Formula: C23H22N6OS2 MolecularWeight: 462.59038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3

InChI

InChI=1S/C23H22N6OS2/c1-3-17(21(30)26-22-15(12-24)13-8-5-7-11-18(13)31-22)32-23-25-20-19(27-28-23)14-9-4-6-10-16(14)29(20)2/h4,6,9-10,17H,3,5,7-8,11H2,1-2H3,(H,26,30)