1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(morpholinomethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[5-(4-morpholinylmethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(morpholinomethyl)-2-pyridyl]thio]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C21H27N3O2S/c1-15-11-19(16(2)24(15)18-4-5-18)20(25)14-27-21-6-3-17(12-22-21)13-23-7-9-26-10-8-23/h3,6,11-12,18H,4-5,7-10,13-14H2,1-2H3