2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C19H21N5O3S/c1-12-5-4-6-13(7-12)18-22-23-19(24(18)20)28-11-17(25)21-14-8-15(26-2)10-16(9-14)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)