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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazino)propan-1-one Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H29N5OS/c1-3-24-11-13-25(14-12-24)20(27)16(2)28-21-23-22-19(18-9-10-18)26(21)15-17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3