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

Systemtic Name: 2-[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C25H29N5O2S2 MolecularWeight: 495.66006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)CC5=CC=CS5

InChI

InChI=1S/C25H29N5O2S2/c31-23(27-21-11-5-4-10-20(21)24(32)26-17-12-13-17)16-34-25-29-28-22(15-19-9-6-14-33-19)30(25)18-7-2-1-3-8-18/h4-6,9-11,14,17-18H,1-3,7-8,12-13,15-16H2,(H,26,32)(H,27,31)