N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanyl-benzamide Openeye Name: N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-isopropylsulfanyl-benzamide CAS Name: N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-(propan-2-ylthio)benzamide IUPAC Name: N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide Traditional Name: N-[5-(3,4-dimethylbenzyl)-1,3,4-oxadiazol-2-yl]-3-(isopropylthio)benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)SC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)SC(C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-13(2)27-18-7-5-6-17(12-18)20(25)22-21-24-23-19(26-21)11-16-9-8-14(3)15(4)10-16/h5-10,12-13H,11H2,1-4H3,(H,22,24,25)