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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-methyl-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-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C24H27N6S+ MolecularWeight: 431.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N6S/c1-4-15-28-19(2)25-30(24(28)31)18-27(3)16-21-17-29(22-13-9-6-10-14-22)26-23(21)20-11-7-5-8-12-20/h4-14,17H,1,15-16,18H2,2-3H3/p+1