3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-3-19-23-24-21(29)27(19)22-13-16-14-26(17-7-5-4-6-8-17)25-20(16)15-9-11-18(28-2)12-10-15/h4-14H,3H2,1-2H3,(H,24,29)/b22-13+