4-(diphenylamino)-3,3-bis(ethylsulfanyl)-5,6,7,8-tetrahydro-4H-chromen-2-one

Systemtic Name: 4-(diphenylamino)-3,3-bis(ethylsulfanyl)-5,6,7,8-tetrahydro-4H-chromen-2-one Openeye Name: 3,3-bis(ethylsulfanyl)-4-(N-phenylanilino)-5,6,7,8-tetrahydro-4H-chromen-2-one CAS Name: 3,3-bis(ethylthio)-4-(N-phenylanilino)-5,6,7,8-tetrahydro-4H-1-benzopyran-2-one IUPAC Name: 3,3-bis(ethylsulfanyl)-4-(N-phenylanilino)-5,6,7,8-tetrahydro-4H-chromen-2-one Traditional Name: 3,3-bis(ethylthio)-4-(N-phenylanilino)-5,6,7,8-tetrahydro-4H-chromen-2-one Formula: C25H29NO2S2 MolecularWeight: 439.63326

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C(C2=C(CCCC2)OC1=O)N(C3=CC=CC=C3)C4=CC=CC=C4)SCC

Isomeric SMILES

CCSC1(C(C2=C(CCCC2)OC1=O)N(C3=CC=CC=C3)C4=CC=CC=C4)SCC

InChI

InChI=1S/C25H29NO2S2/c1-3-29-25(30-4-2)23(21-17-11-12-18-22(21)28-24(25)27)26(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,23H,3-4,11-12,17-18H2,1-2H3