N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-[[4-(dimethylamino)benzyl]amino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC=C(C=C2)N(C)C)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NCC2=CC=C(C=C2)N(C)C)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C18H28N6OS/c1-13-21-22-17(26-12-16(25)20-18(2,3)4)24(13)19-11-14-7-9-15(10-8-14)23(5)6/h7-10,19H,11-12H2,1-6H3,(H,20,25)