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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C18H25N5OS2 MolecularWeight: 391.554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C18H25N5OS2/c1-3-21-8-10-22(11-9-21)17(24)13(2)26-18-20-19-16(15-5-4-12-25-15)23(18)14-6-7-14/h4-5,12-14H,3,6-11H2,1-2H3/t13-/m0/s1