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

Systemtic Name: 3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3CCCCNC3=O

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3CCCCNC3=O

InChI

InChI=1S/C14H22N4OS/c1-9(2)12-16-17-14(18(12)10-6-7-10)20-11-5-3-4-8-15-13(11)19/h9-11H,3-8H2,1-2H3,(H,15,19)