(E)-3-[(4-tert-butylphenyl)amino]-2-cyano-1-ethoxy-3-sulfanylidene-prop-1-en-1-olate; (4-tert-butylphenyl)azanium

Systemtic Name: (E)-3-[(4-tert-butylphenyl)amino]-2-cyano-1-ethoxy-3-sulfanylidene-prop-1-en-1-olate; (4-tert-butylphenyl)azanium Openeye Name: (E)-3-(4-tert-butylanilino)-2-cyano-1-ethoxy-3-thioxo-prop-1-en-1-olate; (4-tert-butylphenyl)ammonium CAS Name: (E)-3-(4-tert-butylanilino)-2-cyano-1-ethoxy-3-sulfanylidene-1-propen-1-olate; (4-tert-butylphenyl)ammonium IUPAC Name: (E)-3-(4-tert-butylanilino)-2-cyano-1-ethoxy-3-sulfanylideneprop-1-en-1-olate; (4-tert-butylphenyl)azanium Traditional Name: (E)-3-(4-tert-butylanilino)-2-cyano-1-ethoxy-3-thioxo-prop-1-en-1-olate; (4-tert-butylphenyl)ammonium Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=S)NC1=CC=C(C=C1)C(C)(C)C)[O-].CC(C)(C)C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CCO/C(=C(\C#N)/C(=S)NC1=CC=C(C=C1)C(C)(C)C)/[O-].CC(C)(C)C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C16H20N2O2S.C10H15N/c1-5-20-15(19)13(10-17)14(21)18-12-8-6-11(7-9-12)16(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8/h6-9,19H,5H2,1-4H3,(H,18,21);4-7H,11H2,1-3H3/b15-13+;