tert-butyl N-[(Z)-3-(4-methylphenyl)sulfanyl-3-nitro-1-phenyl-prop-2-enyl]carbamate

Systemtic Name: tert-butyl N-[(Z)-3-(4-methylphenyl)sulfanyl-3-nitro-1-phenyl-prop-2-enyl]carbamate Openeye Name: tert-butyl N-[(Z)-3-nitro-1-phenyl-3-(p-tolylsulfanyl)allyl]carbamate CAS Name: N-[(Z)-3-[(4-methylphenyl)thio]-3-nitro-1-phenylprop-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-3-(4-methylphenyl)sulfanyl-3-nitro-1-phenylprop-2-enyl]carbamate Traditional Name: N-[(Z)-3-nitro-1-phenyl-3-(p-tolylthio)allyl]carbamic acid tert-butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=CC(C2=CC=CC=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C\C(C2=CC=CC=C2)NC(=O)OC(C)(C)C)/[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-15-10-12-17(13-11-15)28-19(23(25)26)14-18(16-8-6-5-7-9-16)22-20(24)27-21(2,3)4/h5-14,18H,1-4H3,(H,22,24)/b19-14-