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

Systemtic Name: [3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C20H27N4S2+ MolecularWeight: 387.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C20H26N4S2/c1-20(2,3)17-8-6-16(7-9-17)18-21-24(19(25)23(18)5)14-22(4)12-15-10-11-26-13-15/h6-11,13H,12,14H2,1-5H3/p+1