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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-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-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-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-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C23H25N6S+ MolecularWeight: 417.5498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C=N4)CC=C

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C=N4)CC=C

InChI

InChI=1S/C23H24N6S/c1-3-14-27-17-24-29(23(27)30)18-26(2)15-20-16-28(21-12-8-5-9-13-21)25-22(20)19-10-6-4-7-11-19/h3-13,16-17H,1,14-15,18H2,2H3/p+1