3-azanyl-2-[(4-propan-2-yloxyphenyl)methyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-[(4-propan-2-yloxyphenyl)methyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-[(4-isopropoxyphenyl)methyl]-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-[(4-propan-2-yloxyphenyl)methyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-[(4-propan-2-yloxyphenyl)methyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(4-isopropoxybenzyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2C(=C(C3=C(C2=S)CCCC3)C#N)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2C(=C(C3=C(C2=S)CCCC3)C#N)N

InChI

InChI=1S/C20H23N3OS/c1-13(2)24-15-9-7-14(8-10-15)12-23-19(22)18(11-21)16-5-3-4-6-17(16)20(23)25/h7-10,13H,3-6,12,22H2,1-2H3