1-phenyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-phenyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-phenyl-1-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-phenyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-phenyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-phenyl-1-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N3OS2/c1-15(25)19(16-9-4-2-5-10-16)27-21-23-22-20(18-13-8-14-26-18)24(21)17-11-6-3-7-12-17/h2-14,19H,1H3