butyl 4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c1-2-3-12-29-21(28)15-6-8-16(9-7-15)23-19(27)14-31-22-25-24-20(18-5-4-13-30-18)26(22)17-10-11-17/h4-9,13,17H,2-3,10-12,14H2,1H3,(H,23,27)