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

Systemtic Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-17-8-6-7-11-20(17)15-24(2)16-26-22(27)25(21(23-26)19-12-13-19)14-18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3/p+1