6,6-diethoxy-5,5-diisocyanato-2-[(phenylmethylsulfanyl)methyl]cyclohexa-1,3-diene

Systemtic Name: 6,6-diethoxy-5,5-diisocyanato-2-[(phenylmethylsulfanyl)methyl]cyclohexa-1,3-diene Openeye Name: 2-(benzylsulfanylmethyl)-6,6-diethoxy-5,5-diisocyanato-cyclohexa-1,3-diene CAS Name: 6,6-diethoxy-5,5-diisocyanato-2-[(phenylmethylthio)methyl]cyclohexa-1,3-diene IUPAC Name: 2-(benzylsulfanylmethyl)-6,6-diethoxy-5,5-diisocyanatocyclohexa-1,3-diene Traditional Name: 2-[(benzylthio)methyl]-6,6-diethoxy-5,5-diisocyanato-cyclohexa-1,3-diene Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=C(C=CC1(N=C=O)N=C=O)CSCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC1(C=C(C=CC1(N=C=O)N=C=O)CSCC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-25-20(26-4-2)12-18(10-11-19(20,21-15-23)22-16-24)14-27-13-17-8-6-5-7-9-17/h5-12H,3-4,13-14H2,1-2H3