3-methyl-1-[5-[(5-methylfuran-2-yl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[5-[(5-methylfuran-2-yl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 3-methyl-1-[5-[(5-methyl-2-furyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 3-methyl-1-[5-[(5-methyl-2-furanyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-[(5-methylfuran-2-yl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 3-methyl-1-[5-[(5-methyl-2-furyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC(=NN2C(=O)CC(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(O1)CNC2=NC(=NN2C(=O)CC(C)C)C3=CC=CS3

InChI

InChI=1S/C17H20N4O2S/c1-11(2)9-15(22)21-17(18-10-13-7-6-12(3)23-13)19-16(20-21)14-5-4-8-24-14/h4-8,11H,9-10H2,1-3H3,(H,18,19,20)