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

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C23H30N5S+ MolecularWeight: 408.5828

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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)C3=CN=CC=C3)CC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C23H29N5S/c1-6-14-27-21(19-8-7-13-24-15-19)25-28(22(27)29)17-26(5)16-18-9-11-20(12-10-18)23(2,3)4/h6-13,15H,1,14,16-17H2,2-5H3/p+1