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

Systemtic Name: methyl-[(1-phenylpyrazol-4-yl)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-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(1-phenyl-4-pyrazolyl)methyl]-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: methyl-[(1-phenylpyrazol-4-yl)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-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H24N7S+ MolecularWeight: 418.53786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C22H23N7S/c1-3-12-27-21(19-8-7-11-23-14-19)25-29(22(27)30)17-26(2)15-18-13-24-28(16-18)20-9-5-4-6-10-20/h3-11,13-14,16H,1,12,15,17H2,2H3/p+1