2-[(4-methyl-2-nitro-phenyl)amino]ethyl thiocyanate

Systemtic Name: 2-[(4-methyl-2-nitro-phenyl)amino]ethyl thiocyanate Openeye Name: 2-(4-methyl-2-nitro-anilino)ethyl thiocyanate CAS Name: thiocyanic acid 2-(4-methyl-2-nitroanilino)ethyl ester IUPAC Name: 2-(4-methyl-2-nitroanilino)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(4-methyl-2-nitro-anilino)ethyl ester Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCSC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NCCSC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O2S/c1-8-2-3-9(10(6-8)13(14)15)12-4-5-16-7-11/h2-3,6,12H,4-5H2,1H3