4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)/C

InChI

InChI=1S/C22H25N5O2S/c1-4-13-29-20-11-9-18(10-12-20)16(2)24-25-21(28)19-7-5-17(6-8-19)14-30-22-26-23-15-27(22)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,28)/b24-16+