[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C18H15N3O6S2 MolecularWeight: 433.4582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=S)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=S)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S2/c1-11-3-5-14(9-15(11)21(22)23)29(24,25)27-16-6-4-12(8-17(16)26-2)7-13(10-19)18(20)28/h3-9H,1-2H3,(H2,20,28)