N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[3-(2-methoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[3-(2-methoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butyramide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCCOC)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCCOC)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S/c1-14(2)13-18(25)21-15-6-8-16(9-7-15)24-19(17-5-4-12-28-17)22-20(23-24)27-11-10-26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,25)