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

Systemtic Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S/c1-16-8-6-7-9-18(16)14-23(2)15-24-21(26)25(19-10-4-3-5-11-19)20(22-24)17-12-13-17/h3-11,17H,12-15H2,1-2H3/p+1