4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-30-20-10-6-5-9-19(20)21-26-27-23(28(21)24)31-15-16-11-13-17(14-12-16)22(29)25-18-7-3-2-4-8-18/h2-14H,15,24H2,1H3,(H,25,29)