5-(3H-benzimidazol-5-ylsulfanyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 5-(3H-benzimidazol-5-ylsulfanyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5-(3H-benzimidazol-5-ylsulfanyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 5-(3H-benzimidazol-5-ylthio)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5-(3H-benzimidazol-5-ylsulfanyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5-(3H-benzimidazol-5-ylthio)-1,2,3,4-tetrahydroisoquinoline Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C(=CC=C2)SC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CNCC2=C1C(=CC=C2)SC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C16H15N3S/c1-2-11-9-17-7-6-13(11)16(3-1)20-12-4-5-14-15(8-12)19-10-18-14/h1-5,8,10,17H,6-7,9H2,(H,18,19)