4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-thioxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-2-thioxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCCCC3)C#N

InChI

InChI=1S/C18H18N2OS/c1-21-13-9-7-12(8-10-13)17-14-5-3-2-4-6-16(14)20-18(22)15(17)11-19/h7-10H,2-6H2,1H3,(H,20,22)