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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-7-12-26-18(15-8-10-16(11-9-15)21(4,5)6)24-25-20(26)29-13-17(27)23-19(28)22-14(2)3/h7-11,14H,1,12-13H2,2-6H3,(H2,22,23,27,28)