1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-methylsulfanyl-carbazole-4-carbonitrile

Systemtic Name: 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-methylsulfanyl-carbazole-4-carbonitrile Openeye Name: 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-methylsulfanyl-carbazole-4-carbonitrile CAS Name: 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-(methylthio)-4-carbazolecarbonitrile IUPAC Name: 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-methylsulfanylcarbazole-4-carbonitrile Traditional Name: 1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-9-methyl-3-(methylthio)carbazole-4-carbonitrile Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=CC(=C3C#N)SC)C4CC4C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=CC(=C3C#N)SC)[C@@H]4C[C@@H]4C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H22N2OS/c1-27-22-7-5-4-6-17(22)24-21(14-26)23(29-3)13-20(25(24)27)19-12-18(19)15-8-10-16(28-2)11-9-15/h4-11,13,18-19H,12H2,1-3H3/t18-,19-/m1/s1