N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NN=C(N1C2=CC(=CC=C2)OC)CNC(=O)C3CCC3

Isomeric SMILES

CN(C)CCSC1=NN=C(N1C2=CC(=CC=C2)OC)CNC(=O)C3CCC3

InChI

InChI=1S/C19H27N5O2S/c1-23(2)10-11-27-19-22-21-17(13-20-18(25)14-6-4-7-14)24(19)15-8-5-9-16(12-15)26-3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3,(H,20,25)