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

Systemtic Name: 5-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C20H23N5O2S/c1-26-16-8-4-14(5-9-16)18-12-17(27-23-18)13-28-20-22-21-19(24-10-2-3-11-24)25(20)15-6-7-15/h4-5,8-9,12,15H,2-3,6-7,10-11,13H2,1H3