3-azanyl-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-bis(sulfanyl)butane-2,3-diol

Systemtic Name: 3-azanyl-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-bis(sulfanyl)butane-2,3-diol Openeye Name: 3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-bis(sulfanyl)butane-2,3-diol CAS Name: 3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-dimercaptobutane-2,3-diol IUPAC Name: 3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-bis(sulfanyl)butane-2,3-diol Traditional Name: 3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[3,4-c]pyridazine-4-carbonitrile; 1,4-dimercaptobutane-2,3-diol Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C2C(=NN(C(=C2C#N)N)C3=CC=CC=C3)CO1)C.C(C(C(CS)O)O)S

Isomeric SMILES

CC1(C=C2C(=NN(C(=C2C#N)N)C3=CC=CC=C3)CO1)C.C(C(C(CS)O)O)S

InChI

InChI=1S/C16H16N4O.C4H10O2S2/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11;5-3(1-7)4(6)2-8/h3-8H,10,18H2,1-2H3;3-8H,1-2H2