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

Systemtic Name: ethyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: ethyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4S/c1-4-22(14-18-10-6-5-7-11-18)15-23-20(25)24(17(3)21-23)19-12-8-9-16(2)13-19/h5-13H,4,14-15H2,1-3H3/p+1