5-azanyl-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(phenylcarbonyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: 5-azanyl-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(phenylcarbonyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: 5-amino-2-benzoyl-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: 5-amino-2-benzoyl-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: 5-amino-2-benzoyl-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: 5-amino-2-benzoyl-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydrothiophene-4-carbonitrile Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3C(SC(=C3C#N)N)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3C(SC(=C3C#N)N)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H13ClN2O3S/c20-13-7-15-14(24-9-25-15)6-11(13)16-12(8-21)19(22)26-18(16)17(23)10-4-2-1-3-5-10/h1-7,16,18H,9,22H2