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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(azepan-1-yl)ethanone Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C13H21N5OS/c14-18-12(10-5-6-10)15-16-13(18)20-9-11(19)17-7-3-1-2-4-8-17/h10H,1-9,14H2