N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4O2S/c1-3-13-27-20(12-9-16-7-5-4-6-8-16)25-26-22(27)30-15-21(28)24-18-14-17(23)10-11-19(18)29-2/h3-8,10-11,14H,1,9,12-13,15H2,2H3,(H,24,28)