3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-aniline

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-aniline Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-aniline CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxyaniline IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxyaniline Traditional Name: [3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-phenyl]amine Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=C(C=C1)N)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2OS2/c1-2-19-14-8-7-12(17)9-11(14)10-20-16-18-13-5-3-4-6-15(13)21-16/h3-9H,2,10,17H2,1H3