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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=NN3C4CC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=NN3C4CC4

InChI

InChI=1S/C17H22N6OS/c1-13(25-17-18-19-20-23(17)15-7-8-15)16(24)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3