2-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27N5O2S2/c1-6-12-28-19(15-7-9-16(10-8-15)23(3,4)5)26-27-22(28)32-14(2)20(30)25-21-17(18(24)29)11-13-31-21/h6-11,13-14H,1,12H2,2-5H3,(H2,24,29)(H,25,30)