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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-8-13-25-18(16-9-11-17(12-10-16)21(5,6)7)23-24-20(25)27-15(4)19(26)22-14(2)3/h8-12,14-15H,1,13H2,2-7H3,(H,22,26)