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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=S)CC(CC2)CC3=CC=CC=C3)C#N)N

Isomeric SMILES

CN1C(=C(C2=C(C1=S)CC(CC2)CC3=CC=CC=C3)C#N)N

InChI

InChI=1S/C18H19N3S/c1-21-17(20)16(11-19)14-8-7-13(10-15(14)18(21)22)9-12-5-3-2-4-6-12/h2-6,13H,7-10,20H2,1H3