3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Traditional Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]tetrahydrofuran-2-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SC4CCOC4=O

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SC4CCOC4=O

InChI

InChI=1S/C16H17N3O2S/c20-15-13(8-9-21-15)22-16-18-17-14(12-6-7-12)19(16)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2