N-(2-dimethylaminoethyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-dimethylaminoethyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCN(C)C

InChI

InChI=1S/C21H25N5OS/c1-16-9-11-17(12-10-16)20-23-24-21(26(20)18-7-5-4-6-8-18)28-15-19(27)22-13-14-25(2)3/h4-12H,13-15H2,1-3H3,(H,22,27)