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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(4-nitrophenyl)acrylonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(=CC5=CC=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)/C(=C/C5=CC=C(C=C5)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H21N3O2S/c23-12-18(8-14-1-3-19(4-2-14)25(26)27)21-24-20(13-28-21)22-9-15-5-16(10-22)7-17(6-15)11-22/h1-4,8,13,15-17H,5-7,9-11H2/b18-8+