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

Systemtic Name: [5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium CAS Name: [5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4OS/c1-22(11-13-6-4-3-5-7-13)12-23-18(25)20-17(21-23)15-10-14(19)8-9-16(15)24-2/h3-10H,11-12H2,1-2H3,(H,20,21,25)/p+1