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

Systemtic Name: N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-yl-benzamide Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-isopropyl-benzamide CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylbenzamide Traditional Name: N-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-isopropyl-benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-15(2)17-9-11-18(12-10-17)20(26)22-13-19-23-24-21(25(19)3)27-14-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,22,26)