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

Systemtic Name: 2-[(5-azanyl-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one Openeye Name: 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one CAS Name: 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(1-azepanyl)-1-propanone IUPAC Name: 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one Traditional Name: 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(azepan-1-yl)propan-1-one Formula: C14H23N5OS MolecularWeight: 309.43032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C3CC3)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C3CC3)N

InChI

InChI=1S/C14H23N5OS/c1-10(12(20)18-8-4-2-3-5-9-18)21-14-17-16-13(15)19(14)11-6-7-11/h10-11H,2-9H2,1H3,(H2,15,16)