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

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)butan-1-one Formula: C13H16N4OS2 MolecularWeight: 308.42234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C13H16N4OS2/c14-17-12(9-5-6-9)15-16-13(17)20-8-1-3-10(18)11-4-2-7-19-11/h2,4,7,9H,1,3,5-6,8,14H2