2-[(E)-(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-[4-(1-ethylpropyl)phenyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-[4-(1-ethylpropyl)benzylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C21H24N2S MolecularWeight: 336.49366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H24N2S/c1-3-16(4-2)17-11-9-15(10-12-17)14-23-21-19(13-22)18-7-5-6-8-20(18)24-21/h9-12,14,16H,3-8H2,1-2H3/b23-14+