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

Systemtic Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-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-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C17H21N6S+ MolecularWeight: 341.45384

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6S/c1-3-9-21-13-19-23(17(21)24)14-20(2)11-15-10-18-22(12-15)16-7-5-4-6-8-16/h3-8,10,12-13H,1,9,11,14H2,2H3/p+1