2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3S/c1-13-8-9-16(26-2)15(10-13)21-18(25)12-28-19-23-22-17(24(19)20)11-27-14-6-4-3-5-7-14/h3-10H,11-12,20H2,1-2H3,(H,21,25)