1-phenethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 1-phenethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-phenethyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-phenethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-phenethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-phenethyl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=S)NC(=C2C1)CCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C(=S)NC(=C2C1)CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N2S/c19-12-16-14-8-4-5-9-15(14)17(20-18(16)21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)