2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-methoxy-2-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-methoxy-2-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-methoxy-2-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-methoxy-2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-methoxy-2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-methoxy-2-propargyloxy-phenyl)acrylonitrile Formula: C20H14N2O2S2 MolecularWeight: 378.46736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC#C)C=C(C#N)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=C(C=C1)OCC#C)C=C(C#N)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H14N2O2S2/c1-3-10-24-18-9-8-15(23-2)11-14(18)12-16(13-21)25-20-22-17-6-4-5-7-19(17)26-20/h1,4-9,11-12H,10H2,2H3