3-azanyl-2-phenethyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-phenethyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-phenethyl-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-phenethyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-phenethyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-phenethyl-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)CCC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)CCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C18H19N3S/c19-12-16-14-8-4-5-9-15(14)18(22)21(17(16)20)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,20H2