2-[[5-(benzotriazol-1-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)ethanamide

Systemtic Name: 2-[[5-(benzotriazol-1-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzotriazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide CAS Name: 2-[[5-(1-benzotriazolyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-tert-butylphenyl)acetamide IUPAC Name: 2-[[5-(benzotriazol-1-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(benzotriazol-1-yl)-1,2,4-triazol-3-yl]thio]-N-(4-tert-butylphenyl)acetamide Formula: C23H25N7OS MolecularWeight: 447.5559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H25N7OS/c1-5-14-29-21(30-19-9-7-6-8-18(19)25-28-30)26-27-22(29)32-15-20(31)24-17-12-10-16(11-13-17)23(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,24,31)