N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-25-18-8-5-15(11-17(18)20)22-19(24)13-26-12-14-3-6-16(7-4-14)23-10-2-9-21-23/h2-11H,12-13H2,1H3,(H,22,24)