2-azanyl-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)vinyl]-6H-benzothiophene-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carbonitrile Traditional Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)vinyl]-6H-benzothiophene-3-carbonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC2=C1SC(=C2C#N)N)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=CC2=C1SC(=C2C#N)N)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O2S/c1-19(2)10-13(9-15-16(11-20)18(21)25-17(15)19)4-3-12-5-7-14(8-6-12)22(23)24/h3-9H,10,21H2,1-2H3/b4-3+