3-methyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H13N7S MolecularWeight: 407.45052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC4=NC5=C(C6=CC=CC=C6N5)N=N4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC4=NC5=C(C6=CC=CC=C6N5)N=N4)C#N

InChI

InChI=1S/C22H13N7S/c1-12-10-18(29-17-9-5-4-8-16(17)25-21(29)14(12)11-23)30-22-26-20-19(27-28-22)13-6-2-3-7-15(13)24-20/h2-10H,1H3,(H,24,26,28)