(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(phenylmethyl)-propyl-azanium

Systemtic Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-propyl-ammonium CAS Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-propylazanium Traditional Name: benzyl-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-propyl-ammonium Formula: C17H27N4S+ MolecularWeight: 319.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C(C)(C)C

Isomeric SMILES

CCC[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C(C)(C)C

InChI

InChI=1S/C17H26N4S/c1-5-11-20(12-14-9-7-6-8-10-14)13-21-16(22)18-15(19-21)17(2,3)4/h6-10H,5,11-13H2,1-4H3,(H,18,19,22)/p+1