3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)thiazol-2-yl]acrylonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H17N3O2S/c1-2-14-3-5-15(6-4-14)18-12-27-21(24-18)16(10-22)11-23-17-7-8-19-20(9-17)26-13-25-19/h3-9,11-12,23H,2,13H2,1H3