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

Systemtic Name: [3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-isopropyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-isopropyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4OS/c1-16(2)25-20(18-10-12-19(26-4)13-11-18)22-24(21(25)27)15-23(3)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3/p+1