N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-benzyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[5-(2-oxolanylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[4-benzyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S2/c25-19(17-9-5-11-27-17)21-12-18-22-23-20(28-14-16-8-4-10-26-16)24(18)13-15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H,21,25)