4-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]-3-nitro-benzonitrile Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-12-16(13(2)22(20-12)15-6-7-28(26,27)11-15)10-21(3)17-5-4-14(9-19)8-18(17)23(24)25/h4-5,8,15H,6-7,10-11H2,1-3H3