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

Systemtic Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: (4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: (4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(C=N2)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(C=N2)C3CC3)C

InChI

InChI=1S/C16H22N4S/c1-12-4-5-14(13(2)8-12)9-18(3)11-20-16(21)19(10-17-20)15-6-7-15/h4-5,8,10,15H,6-7,9,11H2,1-3H3/p+1