2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[7-(2-benzotriazolyl)-5-methyl-1,3-benzoxazol-2-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[7-(benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]thio]-1-pyrrolidino-ethanone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC(=O)N5CCCC5

InChI

InChI=1S/C20H19N5O2S/c1-13-10-16-19(17(11-13)25-22-14-6-2-3-7-15(14)23-25)27-20(21-16)28-12-18(26)24-8-4-5-9-24/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3