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

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-chlorobenzyl)acetamide Formula: C19H20ClN5O3S MolecularWeight: 433.9118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H20ClN5O3S/c1-27-15-8-5-13(9-16(15)28-2)18-23-24-19(25(18)21)29-11-17(26)22-10-12-3-6-14(20)7-4-12/h3-9H,10-11,21H2,1-2H3,(H,22,26)