N-[4-(3-methylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(3-methylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(3-methylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(3-methylphenoxy)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(3-methylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(3-methylphenoxy)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H20N4O2S/c1-16-3-2-4-21(13-16)29-20-11-9-19(10-12-20)26-22(28)18-7-5-17(6-8-18)14-30-23-24-15-25-27-23/h2-13,15H,14H2,1H3,(H,26,28)(H,24,25,27)