3-methylsulfanyl-5-[(E)-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]methylideneamino]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5-[(E)-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]methylideneamino]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(E)-(3-benzyl-2-oxo-imidazolidin-1-yl)methyleneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[(E)-[2-oxo-3-(phenylmethyl)-1-imidazolidinyl]methylideneamino]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(E)-(3-benzyl-2-oxoimidazolidin-1-yl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(E)-(3-benzyl-2-keto-imidazolidin-1-yl)methyleneamino]-3-(methylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N=CN2CCN(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)/N=C/N2CCN(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6OS/c1-30-21-19(14-23)20(28(25-21)18-10-6-3-7-11-18)24-16-27-13-12-26(22(27)29)15-17-8-4-2-5-9-17/h2-11,16H,12-13,15H2,1H3/b24-16+