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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(azocan-1-yl)ethanone Formula: C14H23N5OS MolecularWeight: 309.43032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H23N5OS/c15-19-13(11-6-7-11)16-17-14(19)21-10-12(20)18-8-4-2-1-3-5-9-18/h11H,1-10,15H2