(phenylmethyl)-propan-2-yl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium

Systemtic Name: (phenylmethyl)-propan-2-yl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: benzyl-isopropyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: (phenylmethyl)-propan-2-yl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: benzyl-propan-2-yl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: benzyl-isopropyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C17H20N4S2/c1-13(2)20(11-14-7-4-3-5-8-14)12-21-17(22)18-16(19-21)15-9-6-10-23-15/h3-10,13H,11-12H2,1-2H3,(H,18,19,22)/p+1