6-[(Z)-[2-(cyclopropylamino)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-4-pentan-3-yloxy-quinoline-3-carbonitrile

Systemtic Name: 6-[(Z)-[2-(cyclopropylamino)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-4-pentan-3-yloxy-quinoline-3-carbonitrile Openeye Name: 6-[(Z)-[2-(cyclopropylamino)-4-oxo-thiazol-5-ylidene]methyl]-4-(1-ethylpropoxy)quinoline-3-carbonitrile CAS Name: 6-[(Z)-[2-(cyclopropylamino)-4-oxo-5-thiazolylidene]methyl]-4-pentan-3-yloxy-3-quinolinecarbonitrile IUPAC Name: 6-[(Z)-[2-(cyclopropylamino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-4-pentan-3-yloxyquinoline-3-carbonitrile Traditional Name: 6-[(Z)-[2-(cyclopropylamino)-4-keto-2-thiazolin-5-ylidene]methyl]-4-(1-ethylpropoxy)quinoline-3-carbonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C2C=C(C=CC2=NC=C1C#N)C=C3C(=O)N=C(S3)NC4CC4

Isomeric SMILES

CCC(CC)OC1=C2C=C(C=CC2=NC=C1C#N)/C=C\3/C(=O)N=C(S3)NC4CC4

InChI

InChI=1S/C22H22N4O2S/c1-3-16(4-2)28-20-14(11-23)12-24-18-8-5-13(9-17(18)20)10-19-21(27)26-22(29-19)25-15-6-7-15/h5,8-10,12,15-16H,3-4,6-7H2,1-2H3,(H,25,26,27)/b19-10-