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

Systemtic Name: (4-tert-butylphenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C19H29N4S+ MolecularWeight: 345.52536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4S/c1-19(2,3)16-10-6-14(7-11-16)12-21(4)13-23-18(24)22(5)17(20-23)15-8-9-15/h6-7,10-11,15H,8-9,12-13H2,1-5H3/p+1