2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O3S/c1-26-14-9-5-6-12-10-15(27-17(12)14)18-22-23-19(24(18)20)28-11-16(25)21-13-7-3-2-4-8-13/h2-10H,11,20H2,1H3,(H,21,25)