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

Systemtic Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile Openeye Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-diphenyl-pyrrole-3-carbonitrile CAS Name: 1-(2-diethylaminoethyl)-2-(ethylthio)-5-oxo-4,4-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-diphenylpyrrole-3-carbonitrile Traditional Name: 1-(2-diethylaminoethyl)-2-(ethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC

Isomeric SMILES

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC

InChI

InChI=1S/C25H29N3OS/c1-4-27(5-2)17-18-28-23(30-6-3)22(19-26)25(24(28)29,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,4-6,17-18H2,1-3H3