4-[5-(2-azanylethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(2-azanylethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(2-aminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(2-aminoethylthio)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(2-aminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(2-aminoethylthio)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C18H27N3OS2 MolecularWeight: 365.55648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NN=C(S2)SCCN)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NN=C(S2)SCCN)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C18H27N3OS2/c1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15-20-21-16(24-15)23-8-7-19/h9-10,20H,7-8,19H2,1-6H3