6-butyl-2-[(3S)-1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-butyl-2-[(3S)-1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[(3S)-2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[(3S)-1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[(3S)-2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]thio]nicotinonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O2S/c1-3-4-5-16-9-8-15(13-22)20(23-16)27-18-12-19(25)24(21(18)26)17-10-6-14(2)7-11-17/h6-11,18H,3-5,12H2,1-2H3/t18-/m0/s1