3-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(isoxazol-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-(3-isoxazolylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-(isoxazol-3-ylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=NOC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=NOC=C3)OC

InChI

InChI=1S/C14H15N5O3S/c1-20-11-4-3-9(7-12(11)21-2)13-16-17-14(19(13)15)23-8-10-5-6-22-18-10/h3-7H,8,15H2,1-2H3