[4-azanyl-1-(4-ethoxyphenyl)-2-phenyl-5-sulfanyl-pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [4-azanyl-1-(4-ethoxyphenyl)-2-phenyl-5-sulfanyl-pyrrol-3-yl]-phenyl-methanone Openeye Name: [4-amino-1-(4-ethoxyphenyl)-2-phenyl-5-sulfanyl-pyrrol-3-yl]-phenyl-methanone CAS Name: [4-amino-1-(4-ethoxyphenyl)-5-mercapto-2-phenyl-3-pyrrolyl]-phenylmethanone IUPAC Name: [4-amino-1-(4-ethoxyphenyl)-2-phenyl-5-sulfanylpyrrol-3-yl]-phenylmethanone Traditional Name: (4-amino-5-mercapto-2-phenyl-1-p-phenetyl-pyrrol-3-yl)-phenyl-methanone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(=C2S)N)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=C2S)N)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-2-29-20-15-13-19(14-16-20)27-23(17-9-5-3-6-10-17)21(22(26)25(27)30)24(28)18-11-7-4-8-12-18/h3-16,30H,2,26H2,1H3