3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-5-(2-thienyl)isoxazole Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C4=CC=CS4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C4=CC=CS4)N5CCCC5

InChI

InChI=1S/C21H21N5OS2/c1-15-6-8-17(9-7-15)26-20(25-10-2-3-11-25)22-23-21(26)29-14-16-13-18(27-24-16)19-5-4-12-28-19/h4-9,12-13H,2-3,10-11,14H2,1H3