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

Systemtic Name: N-cyclopentyl-2-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: N-cyclopentyl-2-[[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopentyl-benzamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

InChI=1S/C26H29N5O3S/c1-3-16-31-24(20-13-7-9-15-22(20)34-2)29-30-26(31)35-17-23(32)28-21-14-8-6-12-19(21)25(33)27-18-10-4-5-11-18/h3,6-9,12-15,18H,1,4-5,10-11,16-17H2,2H3,(H,27,33)(H,28,32)