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

Systemtic Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-[(4-dimethylaminophenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-[[4-(dimethylamino)benzyl]amino]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H26N6OS MolecularWeight: 362.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H26N6OS/c1-17(2,3)20-15(24)11-25-16-21-18-12-23(16)19-10-13-6-8-14(9-7-13)22(4)5/h6-9,12,19H,10-11H2,1-5H3,(H,20,24)