tert-butyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: tert-butyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: benzyl-tert-butyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C15H23N4S+ MolecularWeight: 291.43492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4S/c1-15(2,3)18(10-13-8-6-5-7-9-13)12-19-14(20)17(4)11-16-19/h5-9,11H,10,12H2,1-4H3/p+1