3-cyclopropyl-4-(furan-2-ylmethyl)-5-[3-(phenylsulfonyl)propylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-[3-(phenylsulfonyl)propylsulfanyl]-1,2,4-triazole Openeye Name: 3-[3-(benzenesulfonyl)propylsulfanyl]-5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[3-(benzenesulfonyl)propylthio]-5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[3-(benzenesulfonyl)propylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(3-besylpropylthio)-5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazole Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O3S2/c23-27(24,17-7-2-1-3-8-17)13-5-12-26-19-21-20-18(15-9-10-15)22(19)14-16-6-4-11-25-16/h1-4,6-8,11,15H,5,9-10,12-14H2