(E)-2-cyano-1-cyclohexyloxy-3-[(4-methoxyphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate; (4-methoxyphenyl)azanium

Systemtic Name: (E)-2-cyano-1-cyclohexyloxy-3-[(4-methoxyphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate; (4-methoxyphenyl)azanium Openeye Name: (E)-2-cyano-1-(cyclohexoxy)-3-(4-methoxyanilino)-3-thioxo-prop-1-en-1-olate; (4-methoxyphenyl)ammonium CAS Name: (E)-2-cyano-1-cyclohexyloxy-3-(4-methoxyanilino)-3-sulfanylidene-1-propen-1-olate; (4-methoxyphenyl)ammonium IUPAC Name: (E)-2-cyano-1-cyclohexyloxy-3-(4-methoxyanilino)-3-sulfanylideneprop-1-en-1-olate; (4-methoxyphenyl)azanium Traditional Name: (E)-2-cyano-1-(cyclohexoxy)-3-(p-anisidino)-3-thioxo-prop-1-en-1-olate; (4-methoxyphenyl)ammonium Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH3+].COC1=CC=C(C=C1)NC(=S)C(=C([O-])OC2CCCCC2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[NH3+].COC1=CC=C(C=C1)NC(=S)/C(=C(\[O-])/OC2CCCCC2)/C#N

InChI

InChI=1S/C17H20N2O3S.C7H9NO/c1-21-13-9-7-12(8-10-13)19-16(23)15(11-18)17(20)22-14-5-3-2-4-6-14;1-9-7-4-2-6(8)3-5-7/h7-10,14,20H,2-6H2,1H3,(H,19,23);2-5H,8H2,1H3/b17-15+;