3-(4-butyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-butyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl)sulfanylpropanenitrile Openeye Name: 3-(4-butyl-1,2-diphenyl-5-thioxo-pyrazol-3-yl)sulfanylpropanenitrile CAS Name: 3-[(4-butyl-1,2-diphenyl-5-sulfanylidene-3-pyrazolyl)thio]propanenitrile IUPAC Name: 3-(4-butyl-1,2-diphenyl-5-sulfanylidenepyrazol-3-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-butyl-1,2-diphenyl-5-thioxo-3-pyrazolin-3-yl)thio]propionitrile Formula: C22H23N3S2 MolecularWeight: 393.56812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SCCC#N

Isomeric SMILES

CCCCC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SCCC#N

InChI

InChI=1S/C22H23N3S2/c1-2-3-15-20-21(26)24(18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)22(20)27-17-10-16-23/h4-9,11-14H,2-3,10,15,17H2,1H3