2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-1,2,3-triazol-4-yl]benzenethiol

Systemtic Name: 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-1,2,3-triazol-4-yl]benzenethiol Openeye Name: 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol CAS Name: 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol IUPAC Name: 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol Traditional Name: 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4)S

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4)S

InChI

InChI=1S/C17H15N3O4S/c1-21-11-4-3-9(7-14(11)25)15-16(19-20-18-15)10-5-12(22-2)17-13(6-10)23-8-24-17/h3-7,25H,8H2,1-2H3,(H,18,19,20)