N-(4-dimethylaminophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C22H27N5O2S2/c1-15(21(28)23-16-8-10-17(11-9-16)26(2)3)31-22-25-24-20(19-7-5-13-30-19)27(22)14-18-6-4-12-29-18/h5,7-11,13,15,18H,4,6,12,14H2,1-3H3,(H,23,28)