3-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione hydrochloride

Systemtic Name: 3-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione hydrochloride Openeye Name: 3-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-4-(1-naphthyl)-1H-1,2,4-triazole-5-thione hydrochloride CAS Name: 3-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-4-(1-naphthalenyl)-1H-1,2,4-triazole-5-thione hydrochloride IUPAC Name: 3-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione hydrochloride Traditional Name: 3-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-4-(1-naphthyl)-1H-1,2,4-triazole-5-thione hydrochloride Formula: C23H21ClFN5S MolecularWeight: 453.962743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)C4=CN(C5=C4C=C(C=C5)F)CCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)C4=CN(C5=C4C=C(C=C5)F)CCCN.Cl

InChI

InChI=1S/C23H20FN5S.ClH/c24-16-9-10-20-18(13-16)19(14-28(20)12-4-11-25)22-26-27-23(30)29(22)21-8-3-6-15-5-1-2-7-17(15)21;/h1-3,5-10,13-14H,4,11-12,25H2,(H,27,30);1H