1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-ethyl-thiourea

Systemtic Name: 1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-ethyl-thiourea Openeye Name: 1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-ethyl-thiourea CAS Name: 1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)-2-pyrrolyl]-3-ethylthiourea IUPAC Name: 1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-ethylthiourea Traditional Name: 1-[3-cyano-4-phenyl-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-ethyl-thiourea Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C(=CN1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCNC(=S)NC1=C(C(=CN1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H19N5O2S2/c1-2-23-20(28)24-19-17(12-21)18(14-6-4-3-5-7-14)13-25(19)15-8-10-16(11-9-15)29(22,26)27/h3-11,13H,2H2,1H3,(H2,22,26,27)(H2,23,24,28)