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

Systemtic Name: 2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[4-amino-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C20H19N5O3S/c1-12-6-8-14(9-7-12)22-17(26)11-29-20-24-23-19(25(20)21)16-10-13-4-3-5-15(27-2)18(13)28-16/h3-10H,11,21H2,1-2H3,(H,22,26)