2-[(Z)-2-(2-cyanoethylsulfanyl)-1,2-diphenyl-ethenyl]-3,4-dihydropyrazole-5-carbonitrile

Systemtic Name: 2-[(Z)-2-(2-cyanoethylsulfanyl)-1,2-diphenyl-ethenyl]-3,4-dihydropyrazole-5-carbonitrile Openeye Name: 2-[(Z)-2-(2-cyanoethylsulfanyl)-1,2-diphenyl-vinyl]-3,4-dihydropyrazole-5-carbonitrile CAS Name: 2-[(Z)-2-(2-cyanoethylthio)-1,2-diphenylethenyl]-3,4-dihydropyrazole-5-carbonitrile IUPAC Name: 2-[(Z)-2-(2-cyanoethylsulfanyl)-1,2-diphenylethenyl]-3,4-dihydropyrazole-5-carbonitrile Traditional Name: 1-[(Z)-2-(2-cyanoethylthio)-1,2-diphenyl-vinyl]-2-pyrazoline-3-carbonitrile Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C#N)C(=C(C2=CC=CC=C2)SCCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1C#N)/C(=C(/C2=CC=CC=C2)\SCCC#N)/C3=CC=CC=C3

InChI

InChI=1S/C21H18N4S/c22-13-7-15-26-21(18-10-5-2-6-11-18)20(17-8-3-1-4-9-17)25-14-12-19(16-23)24-25/h1-6,8-11H,7,12,14-15H2/b21-20-