2-(4-nitrophenyl)sulfanyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(1-phenyltetrazol-5-yl)piperazino]propan-1-one Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O3S/c1-15(31-18-9-7-17(8-10-18)27(29)30)19(28)24-11-13-25(14-12-24)20-21-22-23-26(20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3