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

Systemtic Name: N-tert-butyl-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)CNC2=CC=CC=C2

InChI

InChI=1S/C18H25N5OS/c1-5-11-23-15(12-19-14-9-7-6-8-10-14)21-22-17(23)25-13-16(24)20-18(2,3)4/h5-10,19H,1,11-13H2,2-4H3,(H,20,24)