3-(furan-2-yl)-4-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(furan-2-yl)-4-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-(2-furyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-furanyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(furan-2-yl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-methoxy-benzylidene)amino]-3-(2-furyl)-1H-1,2,4-triazole-5-thione Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CO3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CO3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-26-19-12-16(9-10-17(19)28-14-15-6-3-2-4-7-15)13-22-25-20(23-24-21(25)29)18-8-5-11-27-18/h2-13H,14H2,1H3,(H,24,29)/b22-13+