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

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-27-18-10-8-17(9-11-18)24-20(16-6-5-7-19(14-16)26-3)22-23-21(24)28-13-12-15(2)25/h5-11,14H,4,12-13H2,1-3H3