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

Systemtic Name: 3-azanyl-2-(3-propan-2-yloxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3-isopropoxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3-propan-2-yloxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(3-propan-2-yloxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(3-isopropoxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=C(C2=C(C1=S)CCCC2)C#N)N

Isomeric SMILES

CC(C)OCCCN1C(=C(C2=C(C1=S)CCCC2)C#N)N

InChI

InChI=1S/C16H23N3OS/c1-11(2)20-9-5-8-19-15(18)14(10-17)12-6-3-4-7-13(12)16(19)21/h11H,3-9,18H2,1-2H3