(E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-tert-butylphenyl)-2-[4-(3-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O2S/c1-22(2,3)18-9-7-15(8-10-18)11-17(13-23)21-24-20(14-28-21)16-5-4-6-19(12-16)25(26)27/h4-12,14H,1-3H3/b17-11+