2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-13-17(20(25)24(23-13)14-7-3-2-4-8-14)12-22-19-16(11-21)15-9-5-6-10-18(15)26-19/h2-4,7-8,12,22H,5-6,9-10H2,1H3