3-[4-(2-methylpropyl)phenyl]carbothioyl-5,6,7,8-tetrahydroindolizine-8-carbonitrile

Systemtic Name: 3-[4-(2-methylpropyl)phenyl]carbothioyl-5,6,7,8-tetrahydroindolizine-8-carbonitrile Openeye Name: 3-(4-isobutylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carbonitrile CAS Name: 3-[[4-(2-methylpropyl)phenyl]-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carbonitrile IUPAC Name: 3-[4-(2-methylpropyl)benzenecarbothioyl]-5,6,7,8-tetrahydroindolizine-8-carbonitrile Traditional Name: 3-(4-isobutylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carbonitrile Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C#N

InChI

InChI=1S/C20H22N2S/c1-14(2)12-15-5-7-16(8-6-15)20(23)19-10-9-18-17(13-21)4-3-11-22(18)19/h5-10,14,17H,3-4,11-12H2,1-2H3