2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,4-dihydroxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,4-dihydroxyphenyl)acrylonitrile Formula: C16H10N2O2S2 MolecularWeight: 326.3928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC(=C(C=C3)O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC(=C(C=C3)O)O)C#N

InChI

InChI=1S/C16H10N2O2S2/c17-9-11(7-10-5-6-13(19)14(20)8-10)21-16-18-12-3-1-2-4-15(12)22-16/h1-8,19-20H