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

Systemtic Name: 4-[(Z)-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[(Z)-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[(Z)-[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[(Z)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[(Z)-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=O)C(=NNC3=S)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=N\N3C(=O)C(=NNC3=S)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6OS/c1-3-16-9-11-17(12-10-16)20-18(14-27(26-20)19-7-5-4-6-8-19)13-23-28-21(29)15(2)24-25-22(28)30/h4-14H,3H2,1-2H3,(H,25,30)/b23-13-