4-[(E)-(4-ethoxy-3-methoxy-phenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-ethoxy-3-methoxy-phenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-ethoxy-3-methoxy-phenyl)methyleneamino]-3-(3-isopropoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-ethoxy-3-methoxy-benzylidene)amino]-3-(3-isopropoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=CC=C3)OC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC(C)C)OC

InChI

InChI=1S/C21H24N4O3S/c1-5-27-18-10-9-15(11-19(18)26-4)13-22-25-20(23-24-21(25)29)16-7-6-8-17(12-16)28-14(2)3/h6-14H,5H2,1-4H3,(H,24,29)/b22-13+