N-cyclopropyl-2-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 2-[[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H23N5O2S2/c31-22(27-20-10-5-4-9-19(20)24(32)26-18-12-13-18)16-34-25-29-28-23(21-11-6-14-33-21)30(25)15-17-7-2-1-3-8-17/h1-11,14,18H,12-13,15-16H2,(H,26,32)(H,27,31)