2-[2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopentyl-benzamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3)CCC(=O)N

InChI

InChI=1S/C20H26N6O3S/c1-26-17(11-10-16(21)27)24-25-20(26)30-12-18(28)23-15-9-5-4-8-14(15)19(29)22-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H2,21,27)(H,22,29)(H,23,28)