4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-thiophen-2-yl-1H-1,2,4-triazol-5-one hydrochloride

Systemtic Name: 4-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-3-thiophen-2-yl-1H-1,2,4-triazol-5-one hydrochloride Openeye Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(2-thienyl)-1H-1,2,4-triazol-5-one hydrochloride CAS Name: 4-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-3-thiophen-2-yl-1H-1,2,4-triazol-5-one hydrochloride IUPAC Name: 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-thiophen-2-yl-1H-1,2,4-triazol-5-one hydrochloride Traditional Name: 4-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-3-(2-thienyl)-1H-1,2,4-triazol-5-one hydrochloride Formula: C17H17ClFN5OS MolecularWeight: 393.866183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=O)N2C3=CN(C4=C3C=C(C=C4)F)CCCN.Cl

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=O)N2C3=CN(C4=C3C=C(C=C4)F)CCCN.Cl

InChI

InChI=1S/C17H16FN5OS.ClH/c18-11-4-5-13-12(9-11)14(10-22(13)7-2-6-19)23-16(20-21-17(23)24)15-3-1-8-25-15;/h1,3-5,8-10H,2,6-7,19H2,(H,21,24);1H