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

Systemtic Name: methyl-(phenylmethyl)-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: benzyl-methyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: methyl-(phenylmethyl)-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: benzyl-methyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: benzyl-methyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C15H17N4S2+ MolecularWeight: 317.45228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4S2/c1-18(10-12-6-3-2-4-7-12)11-19-15(20)16-14(17-19)13-8-5-9-21-13/h2-9H,10-11H2,1H3,(H,16,17,20)/p+1