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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: 2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]cyclopentanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC3CCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC3CCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-2-26-17-13-11-16(12-14-17)24-20(15-7-4-3-5-8-15)22-23-21(24)27-19-10-6-9-18(19)25/h3-5,7-8,11-14,19H,2,6,9-10H2,1H3