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

Systemtic Name: (2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (2,4-dimethylphenyl)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-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)C

InChI

InChI=1S/C21H25N5S/c1-5-11-25-20(18-7-6-10-22-13-18)23-26(21(25)27)15-24(4)14-19-9-8-16(2)12-17(19)3/h5-10,12-13H,1,11,14-15H2,2-4H3/p+1