(E)-2-[4-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-phenacylsulfanyl-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-phenacylsulfanyl-3-phenylazanyl-prop-2-enenitrile Openeye Name: (E)-3-anilino-2-[4-(3-oxobenzo[f]chromen-2-yl)thiazol-2-yl]-3-phenacylsulfanyl-prop-2-enenitrile CAS Name: (E)-3-anilino-2-[4-(3-oxo-2-benzo[f][1]benzopyranyl)-2-thiazolyl]-3-(phenacylthio)-2-propenenitrile IUPAC Name: (E)-3-anilino-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-phenacylsulfanylprop-2-enenitrile Traditional Name: (E)-3-anilino-2-[4-(3-ketobenzo[f]chromen-2-yl)thiazol-2-yl]-3-(phenacylthio)acrylonitrile Formula: C33H21N3O3S2 MolecularWeight: 571.66814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)NC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CS/C(=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)/NC6=CC=CC=C6

InChI

InChI=1S/C33H21N3O3S2/c34-18-27(31(35-23-12-5-2-6-13-23)41-20-29(37)22-10-3-1-4-11-22)32-36-28(19-40-32)26-17-25-24-14-8-7-9-21(24)15-16-30(25)39-33(26)38/h1-17,19,35H,20H2/b31-27+