cyclopropylmethyl-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-propylammonium IUPAC Name: cyclopropylmethyl-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-propylazanium Traditional Name: cyclopropylmethyl-[2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-propyl-ammonium Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC1=NNC(=S)N1C2=CC=CC=C2)CC3CC3

Isomeric SMILES

CCC[NH+](CCC1=NNC(=S)N1C2=CC=CC=C2)CC3CC3

InChI

InChI=1S/C17H24N4S/c1-2-11-20(13-14-8-9-14)12-10-16-18-19-17(22)21(16)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,22)/p+1