5-oxidanylidene-4,4-diphenyl-2-propylsulfanyl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-oxidanylidene-4,4-diphenyl-2-propylsulfanyl-1H-pyrrole-3-carbonitrile Openeye Name: 5-oxo-4,4-diphenyl-2-propylsulfanyl-1H-pyrrole-3-carbonitrile CAS Name: 5-oxo-4,4-diphenyl-2-(propylthio)-1H-pyrrole-3-carbonitrile IUPAC Name: 5-oxo-4,4-diphenyl-2-propylsulfanyl-1H-pyrrole-3-carbonitrile Traditional Name: 5-keto-4,4-diphenyl-2-(propylthio)-2-pyrroline-3-carbonitrile Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N2OS/c1-2-13-24-18-17(14-21)20(19(23)22-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13H2,1H3,(H,22,23)