3-[3-cyclopropyl-5-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C21H29N5O2S/c1-3-11-25(13-16-6-4-15(2)5-7-16)19(28)14-29-21-24-23-20(17-8-9-17)26(21)12-10-18(22)27/h4-7,17H,3,8-14H2,1-2H3,(H2,22,27)