2-[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[1-oxo-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-phenyl-benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C27H25N5O3S/c1-2-17-32-24(18-35-21-13-7-4-8-14-21)30-31-27(32)36-19-25(33)29-23-16-10-9-15-22(23)26(34)28-20-11-5-3-6-12-20/h2-16H,1,17-19H2,(H,28,34)(H,29,33)