1-[3-(dimethylamino)propyl]-5-oxidanylidene-4,4-diphenyl-2-propylsulfanyl-pyrrole-3-carbonitrile hydrochloride

Systemtic Name: 1-[3-(dimethylamino)propyl]-5-oxidanylidene-4,4-diphenyl-2-propylsulfanyl-pyrrole-3-carbonitrile hydrochloride Openeye Name: 1-[3-(dimethylamino)propyl]-5-oxo-4,4-diphenyl-2-propylsulfanyl-pyrrole-3-carbonitrile hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-5-oxo-4,4-diphenyl-2-(propylthio)-3-pyrrolecarbonitrile hydrochloride IUPAC Name: 1-[3-(dimethylamino)propyl]-5-oxo-4,4-diphenyl-2-propylsulfanylpyrrole-3-carbonitrile hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-5-keto-4,4-diphenyl-2-(propylthio)-2-pyrroline-3-carbonitrile hydrochloride Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

Isomeric SMILES

CCCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

InChI

InChI=1S/C25H29N3OS.ClH/c1-4-18-30-23-22(19-26)25(20-12-7-5-8-13-20,21-14-9-6-10-15-21)24(29)28(23)17-11-16-27(2)3;/h5-10,12-15H,4,11,16-18H2,1-3H3;1H