1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CN3C=NC(=N3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CN3C=NC(=N3)C#N)OC

InChI

InChI=1S/C15H13N5O2S/c1-21-12-4-3-10(5-13(12)22-2)15-18-11(8-23-15)7-20-9-17-14(6-16)19-20/h3-5,8-9H,7H2,1-2H3