2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)sulfanyl]-N-(2-furylmethyl)benzamide CAS Name: 2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)thio]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[(3-cyano-4-phenyl-1H-pyrrol-2-yl)thio]-N-(2-furfuryl)benzamide Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNC(=C2C#N)SC3=CC=CC=C3C(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=CNC(=C2C#N)SC3=CC=CC=C3C(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H17N3O2S/c24-13-19-20(16-7-2-1-3-8-16)15-26-23(19)29-21-11-5-4-10-18(21)22(27)25-14-17-9-6-12-28-17/h1-12,15,26H,14H2,(H,25,27)