(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)-2-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]acrylonitrile Formula: C20H12N4O2S MolecularWeight: 372.39988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H12N4O2S/c21-13-14(20-22-18-8-1-2-9-19(18)27-20)11-15-7-4-10-23(15)16-5-3-6-17(12-16)24(25)26/h1-12H/b14-11+