2-[[1-(benzotriazol-1-yl)-1-oxidanylidene-propan-2-yl]amino]-5-cyclohexylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[1-(benzotriazol-1-yl)-1-oxidanylidene-propan-2-yl]amino]-5-cyclohexylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[2-(benzotriazol-1-yl)-1-methyl-2-oxo-ethyl]amino]-5-cyclohexylsulfanyl-1,4-benzoquinone CAS Name: 2-[[1-(1-benzotriazolyl)-1-oxopropan-2-yl]amino]-5-(cyclohexylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[1-(benzotriazol-1-yl)-1-oxopropan-2-yl]amino]-5-cyclohexylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[2-(benzotriazol-1-yl)-2-keto-1-methyl-ethyl]amino]-5-(cyclohexylthio)-p-benzoquinone Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2N=N1)NC3=CC(=O)C(=CC3=O)SC4CCCCC4

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2N=N1)NC3=CC(=O)C(=CC3=O)SC4CCCCC4

InChI

InChI=1S/C21H22N4O3S/c1-13(21(28)25-17-10-6-5-9-15(17)23-24-25)22-16-11-19(27)20(12-18(16)26)29-14-7-3-2-4-8-14/h5-6,9-14,22H,2-4,7-8H2,1H3