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

Systemtic Name: methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-(m-tolyl)-4-propyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-(3-methylphenyl)-4-propyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-(m-tolyl)-4-propyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H26N4S/c1-4-13-24-20(19-12-8-9-17(2)14-19)22-25(21(24)26)16-23(3)15-18-10-6-5-7-11-18/h5-12,14H,4,13,15-16H2,1-3H3/p+1