2-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)CSC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)CSC4=CC=CC=N4

InChI

InChI=1S/C23H21N3OS2/c1-27-20-10-9-16(12-17(20)15-28-22-8-4-5-11-25-22)14-26-23-19(13-24)18-6-2-3-7-21(18)29-23/h4-5,8-12,14H,2-3,6-7,15H2,1H3