3-azanyl-2-(3-methoxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(3-methoxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3-methoxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3-methoxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(3-methoxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(3-methoxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C2=C(C1=S)CCCC2)C#N)N

Isomeric SMILES

COCCCN1C(=C(C2=C(C1=S)CCCC2)C#N)N

InChI

InChI=1S/C14H19N3OS/c1-18-8-4-7-17-13(16)12(9-15)10-5-2-3-6-11(10)14(17)19/h2-8,16H2,1H3