N-(4-chlorophenyl)-2-[4,6-di(pyrrol-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[4,6-di(pyrrol-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4,6-di(pyrrol-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4,6-bis(1-pyrrolyl)-2-pyrimidinyl]thio]-N-(4-chlorophenyl)acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4,6-di(pyrrol-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[[4,6-di(pyrrol-1-yl)pyrimidin-2-yl]thio]acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)N4C=CC=C4

Isomeric SMILES

C1=CN(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)N4C=CC=C4

InChI

InChI=1S/C20H16ClN5OS/c21-15-5-7-16(8-6-15)22-19(27)14-28-20-23-17(25-9-1-2-10-25)13-18(24-20)26-11-3-4-12-26/h1-13H,14H2,(H,22,27)