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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CC3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CC3=CC=CC=C3)C(C)C)C

InChI

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