(5S,8S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (5S,8S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (5S,8S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-8-isopropyl-5-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (5S,8S)-2-(1H-benzimidazol-2-ylmethylthio)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (5S,8S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (5S,8S)-2-(1H-benzimidazol-2-ylmethylthio)-8-isopropyl-5-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=C1C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C2=C1C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N)C(C)C

InChI

InChI=1S/C22H24N4S/c1-13(2)16-9-8-14(3)17-10-15(11-23)22(26-21(16)17)27-12-20-24-18-6-4-5-7-19(18)25-20/h4-7,10,13-14,16H,8-9,12H2,1-3H3,(H,24,25)/t14-,16-/m0/s1