(4-butoxyphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

Systemtic Name: (4-butoxyphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Openeye Name: (4-butoxyphenyl)-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone IUPAC Name: (4-butoxyphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Traditional Name: (4-butoxyphenyl)-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OC(C)C)C3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OC(C)C)C3=CC=CS3

InChI

InChI=1S/C20H23N3O3S/c1-4-5-12-25-16-10-8-15(9-11-16)19(24)23-18(17-7-6-13-27-17)21-20(22-23)26-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3