2-tert-butylsulfanyl-7-fluoranyl-6-[4-(2-fluoranylethyl)-2-methyl-piperazin-1-yl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 2-tert-butylsulfanyl-7-fluoranyl-6-[4-(2-fluoranylethyl)-2-methyl-piperazin-1-yl]-3H-benzimidazole-5-carbonitrile Openeye Name: 2-tert-butylsulfanyl-7-fluoro-6-[4-(2-fluoroethyl)-2-methyl-piperazin-1-yl]-3H-benzimidazole-5-carbonitrile CAS Name: 2-(tert-butylthio)-7-fluoro-6-[4-(2-fluoroethyl)-2-methyl-1-piperazinyl]-3H-benzimidazole-5-carbonitrile IUPAC Name: 2-tert-butylsulfanyl-7-fluoro-6-[4-(2-fluoroethyl)-2-methylpiperazin-1-yl]-3H-benzimidazole-5-carbonitrile Traditional Name: 2-(tert-butylthio)-7-fluoro-6-[4-(2-fluoroethyl)-2-methyl-piperazino]-3H-benzimidazole-5-carbonitrile Formula: C19H25F2N5S MolecularWeight: 393.497106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C3=C(C=C2C#N)NC(=N3)SC(C)(C)C)F)CCF

Isomeric SMILES

CC1CN(CCN1C2=C(C3=C(C=C2C#N)NC(=N3)SC(C)(C)C)F)CCF

InChI

InChI=1S/C19H25F2N5S/c1-12-11-25(6-5-20)7-8-26(12)17-13(10-22)9-14-16(15(17)21)24-18(23-14)27-19(2,3)4/h9,12H,5-8,11H2,1-4H3,(H,23,24)