3-chloranyl-5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanyl-benzenecarbonitrile Openeye Name: 3-chloro-5-[3-isopropyl-5-methyl-1-(4-pyridylmethyl)pyrrol-2-yl]sulfanyl-benzonitrile CAS Name: 3-chloro-5-[[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)-2-pyrrolyl]thio]benzonitrile IUPAC Name: 3-chloro-5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanylbenzonitrile Traditional Name: 3-chloro-5-[[3-isopropyl-5-methyl-1-(4-pyridylmethyl)pyrrol-2-yl]thio]benzonitrile Formula: C21H20ClN3S MolecularWeight: 381.9216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)Cl)C(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)Cl)C(C)C

InChI

InChI=1S/C21H20ClN3S/c1-14(2)20-8-15(3)25(13-16-4-6-24-7-5-16)21(20)26-19-10-17(12-23)9-18(22)11-19/h4-11,14H,13H2,1-3H3