[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [3-(2-furyl)-5-[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3-(2-furanyl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [3-(2-furyl)-5-[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H20N4O2S/c1-14(2)16-9-7-15(8-10-16)13-22-21-23-19(17-5-3-11-27-17)24-25(21)20(26)18-6-4-12-28-18/h3-12,14H,13H2,1-2H3,(H,22,23,24)