N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)-1-cyclohexenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)cyclohexen-1-yl]methyleneamino]isonicotinamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC(=O)C2=CC=NC=C2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(=C(C1)/C=N/NC(=O)C2=CC=NC=C2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O2S/c25-19(14-9-11-21-12-10-14)24-22-13-15-5-1-4-8-18(15)27-20-23-16-6-2-3-7-17(16)26-20/h2-3,6-7,9-13H,1,4-5,8H2,(H,24,25)/b22-13+