N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-3-(phenylthio)propionamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3OS/c1-17-9-11-21(12-10-17)26-18(2)15-20(19(26)3)16-24-25-23(27)13-14-28-22-7-5-4-6-8-22/h4-12,15-16H,13-14H2,1-3H3,(H,25,27)/b24-16+