2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C21H27N5OS/c1-3-11-26-19(17-9-10-17)22-23-21(26)28-16(2)20(27)25-14-12-24(13-15-25)18-7-5-4-6-8-18/h3-8,16-17H,1,9-15H2,2H3