4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O3S/c1-14-21(29)28(22(32)25-24-14)23-12-16-13-27(17-5-3-2-4-6-17)26-20(16)15-7-8-18-19(11-15)31-10-9-30-18/h2-8,11-13H,9-10H2,1H3,(H,25,32)