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

Systemtic Name: 4-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6OS/c1-2-20-24-25-22(30)28(20)23-13-16-14-27(17-9-4-3-5-10-17)26-21(16)19-12-15-8-6-7-11-18(15)29-19/h3-14H,2H2,1H3,(H,25,30)/b23-13+