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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C18H17Cl2N5O3S MolecularWeight: 454.33028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C18H17Cl2N5O3S/c1-27-12-6-11(7-13(8-12)28-2)22-16(26)9-29-18-24-23-17(25(18)21)14-4-3-10(19)5-15(14)20/h3-8H,9,21H2,1-2H3,(H,22,26)