N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-4-propan-2-yl-benzamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-4-propan-2-yl-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-isopropyl-benzamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-4-propan-2-ylbenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-propan-2-ylbenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-isopropyl-benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14(2)17-9-11-18(12-10-17)19(25)23-24-15(3)21-22-20(24)26-13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,23,25)