(Z)-3-methylsulfanyl-5-oxidanylidene-5-phenyl-2-[1-(phenylmethyl)-1,2,3-triazol-4-yl]pent-2-enenitrile

Systemtic Name: (Z)-3-methylsulfanyl-5-oxidanylidene-5-phenyl-2-[1-(phenylmethyl)-1,2,3-triazol-4-yl]pent-2-enenitrile Openeye Name: (Z)-2-(1-benzyltriazol-4-yl)-3-methylsulfanyl-5-oxo-5-phenyl-pent-2-enenitrile CAS Name: (Z)-3-(methylthio)-5-oxo-5-phenyl-2-[1-(phenylmethyl)-4-triazolyl]-2-pentenenitrile IUPAC Name: (Z)-2-(1-benzyltriazol-4-yl)-3-methylsulfanyl-5-oxo-5-phenylpent-2-enenitrile Traditional Name: (Z)-2-(1-benzyltriazol-4-yl)-5-keto-3-(methylthio)-5-phenyl-pent-2-enenitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C1=CN(N=N1)CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CS/C(=C(\C#N)/C1=CN(N=N1)CC2=CC=CC=C2)/CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4OS/c1-27-21(12-20(26)17-10-6-3-7-11-17)18(13-22)19-15-25(24-23-19)14-16-8-4-2-5-9-16/h2-11,15H,12,14H2,1H3/b21-18+