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

Systemtic Name: methyl-[(4-propan-2-ylphenyl)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-isopropylphenyl)methyl]-methyl-ammonium CAS Name: methyl-[(4-propan-2-ylphenyl)methyl]-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: methyl-[(4-propan-2-ylphenyl)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-isopropylbenzyl)-methyl-ammonium Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-5-13-26-21(20-7-6-12-23-14-20)24-27(22(26)28)16-25(4)15-18-8-10-19(11-9-18)17(2)3/h5-12,14,17H,1,13,15-16H2,2-4H3/p+1