2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2-furyl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-furanyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-furyl)ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-15-12-13-19(26-15)18(25)14-27-21-23-22-20(16-8-4-2-5-9-16)24(21)17-10-6-3-7-11-17/h2-13H,14H2,1H3