(E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylthio)-2-propenenitrile IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylthio)acrylonitrile Formula: C17H10N2O2S2 MolecularWeight: 338.4035

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H10N2O2S2/c18-9-12(7-11-5-6-14-15(8-11)21-10-20-14)22-17-19-13-3-1-2-4-16(13)23-17/h1-8H,10H2/b12-7+