2-[(phenylmethylsulfanyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Systemtic Name: 2-[(phenylmethylsulfanyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Openeye Name: 2-(benzylsulfanylmethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile CAS Name: 2-[(phenylmethylthio)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile IUPAC Name: 2-(benzylsulfanylmethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Traditional Name: 2-[(benzylthio)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NCSCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NCSCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2S2/c19-11-16-15-9-5-2-6-10-17(15)22-18(16)20-13-21-12-14-7-3-1-4-8-14/h1,3-4,7-8,20H,2,5-6,9-10,12-13H2