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

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCCN(C)C

InChI

InChI=1S/C16H23N5OS/c1-12-5-7-13(8-6-12)15(22)17-11-14-18-19-16(21(14)4)23-10-9-20(2)3/h5-8H,9-11H2,1-4H3,(H,17,22)