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

Systemtic Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-(2-furfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N

InChI

InChI=1S/C18H18N6O2S/c19-15(25)7-8-17-22-23-18(24(17)10-12-4-3-9-26-12)27-11-16-20-13-5-1-2-6-14(13)21-16/h1-6,9H,7-8,10-11H2,(H2,19,25)(H,20,21)