3-methyl-1-[(2-nitrophenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[(2-nitrophenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[(2-nitrophenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[(2-nitrophenyl)methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[(2-nitrophenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[(2-nitrobenzyl)thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC=C4[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC=C4[N+](=O)[O-])C#N

InChI

InChI=1S/C20H14N4O2S/c1-13-10-19(27-12-14-6-2-4-8-17(14)24(25)26)23-18-9-5-3-7-16(18)22-20(23)15(13)11-21/h2-10H,12H2,1H3