4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzaldehyde

Systemtic Name: 4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzaldehyde Openeye Name: 4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzaldehyde CAS Name: 4-methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzaldehyde IUPAC Name: 4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzaldehyde Traditional Name: 4-methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzaldehyde Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NC=NN2

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NC=NN2

InChI

InChI=1S/C11H11N3O2S/c1-16-10-3-2-8(5-15)4-9(10)6-17-11-12-7-13-14-11/h2-5,7H,6H2,1H3,(H,12,13,14)