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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O2S/c1-15(25)16(2)27-21-23-22-20(18-11-7-8-12-19(18)26-3)24(21)14-13-17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3