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

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19N5O3S/c1-25-14-9-8-12(10-15(14)26-2)17-21-22-18(23(17)19)27-11-16(24)20-13-6-4-3-5-7-13/h3-10H,11,19H2,1-2H3,(H,20,24)