2-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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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)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C27H31N5O2S/c1-5-16-32-24(18-10-12-19(13-11-18)27(2,3)4)30-31-26(32)35-17-23(33)29-22-9-7-6-8-21(22)25(34)28-20-14-15-20/h5-13,20H,1,14-17H2,2-4H3,(H,28,34)(H,29,33)