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

Systemtic Name: 5-methyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide CAS Name: 5-methyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C22H21N5OS2/c1-16-7-8-19(30-16)21(28)24-13-20-25-26-22(29-15-18-9-11-23-12-10-18)27(20)14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,24,28)