5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanylbenzene-1,3-dicarbonitrile

Systemtic Name: 5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanylbenzene-1,3-dicarbonitrile Openeye Name: 5-[3-isopropyl-5-methyl-1-(4-pyridylmethyl)pyrrol-2-yl]sulfanylbenzene-1,3-dicarbonitrile CAS Name: 5-[[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)-2-pyrrolyl]thio]benzene-1,3-dicarbonitrile IUPAC Name: 5-[5-methyl-3-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 5-[[3-isopropyl-5-methyl-1-(4-pyridylmethyl)pyrrol-2-yl]thio]isophthalonitrile Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4S/c1-15(2)21-8-16(3)26(14-17-4-6-25-7-5-17)22(21)27-20-10-18(12-23)9-19(11-20)13-24/h4-11,15H,14H2,1-3H3