3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(1H-benzimidazol-2-ylmethylthio)-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(1H-benzimidazol-2-ylmethylthio)-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CO4

InChI

InChI=1S/C17H16N6O2S/c18-14(24)7-8-23-16(13-6-3-9-25-13)21-22-17(23)26-10-15-19-11-4-1-2-5-12(11)20-15/h1-6,9H,7-8,10H2,(H2,18,24)(H,19,20)