1-(3-azanylpropyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride

Systemtic Name: 1-(3-azanylpropyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride Openeye Name: 1-(3-aminopropyl)-2-ethylsulfanyl-5-oxo-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride CAS Name: 1-(3-aminopropyl)-2-(ethylthio)-5-oxo-4,4-diphenyl-3-pyrrolecarbonitrile hydrochloride IUPAC Name: 1-(3-aminopropyl)-2-ethylsulfanyl-5-oxo-4,4-diphenylpyrrole-3-carbonitrile hydrochloride Traditional Name: 1-(3-aminopropyl)-2-(ethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile hydrochloride Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCCN)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCCN)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

InChI

InChI=1S/C22H23N3OS.ClH/c1-2-27-20-19(16-24)22(17-10-5-3-6-11-17,18-12-7-4-8-13-18)21(26)25(20)15-9-14-23;/h3-8,10-13H,2,9,14-15,23H2,1H3;1H