[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H16ClN3O2S/c1-11(2)10-23-17-19-15(12-5-3-6-13(18)9-12)21(20-17)16(22)14-7-4-8-24-14/h3-9,11H,10H2,1-2H3