3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-benzaldehyde

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-benzaldehyde Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-benzaldehyde CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxybenzaldehyde IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzaldehyde Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S2/c1-19-14-7-6-11(9-18)8-12(14)10-20-16-17-13-4-2-3-5-15(13)21-16/h2-9H,10H2,1H3