1-(3-butylsulfanyl-6-diazo-4-methoxy-cyclohexa-1,3-dien-1-yl)pyrrolidin-2-one

Systemtic Name: 1-(3-butylsulfanyl-6-diazo-4-methoxy-cyclohexa-1,3-dien-1-yl)pyrrolidin-2-one Openeye Name: 1-(3-butylsulfanyl-6-diazo-4-methoxy-cyclohexa-1,3-dien-1-yl)pyrrolidin-2-one CAS Name: 1-[3-(butylthio)-6-diazo-4-methoxy-1-cyclohexa-1,3-dienyl]-2-pyrrolidinone IUPAC Name: 1-(3-butylsulfanyl-6-diazo-4-methoxycyclohexa-1,3-dien-1-yl)pyrrolidin-2-one Traditional Name: 1-[3-(butylthio)-6-diazo-4-methoxy-cyclohexa-1,3-dien-1-yl]-2-pyrrolidone Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(CC(=[N+]=[N-])C(=C1)N2CCCC2=O)OC

Isomeric SMILES

CCCCSC1=C(CC(=[N+]=[N-])C(=C1)N2CCCC2=O)OC

InChI

InChI=1S/C15H21N3O2S/c1-3-4-8-21-14-10-12(18-7-5-6-15(18)19)11(17-16)9-13(14)20-2/h10H,3-9H2,1-2H3