1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)pentane-2-thiol

Systemtic Name: 1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)pentane-2-thiol Openeye Name: 1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)pentane-2-thiol CAS Name: 1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-pentanethiol IUPAC Name: 1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)pentane-2-thiol Traditional Name: 1-(3H-benzimidazol-5-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)pentane-2-thiol Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC2=C(C=C1)N=CN2)N3CCCC4=CC=CC=C43)S

Isomeric SMILES

CCCC(C(C1=CC2=C(C=C1)N=CN2)N3CCCC4=CC=CC=C43)S

InChI

InChI=1S/C21H25N3S/c1-2-6-20(25)21(16-10-11-17-18(13-16)23-14-22-17)24-12-5-8-15-7-3-4-9-19(15)24/h3-4,7,9-11,13-14,20-21,25H,2,5-6,8,12H2,1H3,(H,22,23)