4-[bis[4-(diethylamino)phenyl]-oxidanyl-methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one; thiocyanic acid

Systemtic Name: 4-[bis[4-(diethylamino)phenyl]-oxidanyl-methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one; thiocyanic acid Openeye Name: 4-[bis[4-(diethylamino)phenyl]-hydroxy-methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one; thiocyanic acid CAS Name: 4-[bis[4-(diethylamino)phenyl]-hydroxymethyl]-1,5-dimethyl-2-phenyl-3-pyrazolone; thiocyanic acid IUPAC Name: 4-[bis[4-(diethylamino)phenyl]-hydroxymethyl]-1,5-dimethyl-2-phenylpyrazol-3-one; thiocyanic acid Traditional Name: 4-[bis[4-(diethylamino)phenyl]-hydroxy-methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; thiocyanic acid Formula: C33H41N5O2S MolecularWeight: 571.77594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O.C(#N)S

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O.C(#N)S

InChI

InChI=1S/C32H40N4O2.CHNS/c1-7-34(8-2)27-20-16-25(17-21-27)32(38,26-18-22-28(23-19-26)35(9-3)10-4)30-24(5)33(6)36(31(30)37)29-14-12-11-13-15-29;2-1-3/h11-23,38H,7-10H2,1-6H3;3H