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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-5-10-23-15(12-6-8-13(9-7-12)18(2,3)4)21-22-17(23)26-11-14(24)20-16(19)25/h5-9H,1,10-11H2,2-4H3,(H3,19,20,24,25)