N-[(Z)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[(Z)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[(Z)-(1-benzylpyrazol-4-yl)methyleneamino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[(Z)-[1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[(Z)-(1-benzylpyrazol-4-yl)methyleneamino]-2-(8-quinolylthio)acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=NNC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=N\NC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H19N5OS/c28-21(16-29-20-10-4-8-19-9-5-11-23-22(19)20)26-24-12-18-13-25-27(15-18)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,26,28)/b24-12-