N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-1H-pyrazole-5-carboxamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NN2)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=NN2)CSC3=CC=CC=N3

InChI

InChI=1S/C18H17N5O2S/c1-25-16-6-5-13(11-21-23-18(24)15-7-9-20-22-15)10-14(16)12-26-17-4-2-3-8-19-17/h2-11H,12H2,1H3,(H,20,22)(H,23,24)/b21-11+