2-cyclopropyl-5-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]piperazino]oxazole-4-carbonitrile Formula: C22H20N6O4S2 MolecularWeight: 496.562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(N=C(O4)C5CC5)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(N=C(O4)C5CC5)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S2/c1-13-12-33-22(24-13)34-18-5-4-15(10-17(18)28(30)31)20(29)26-6-8-27(9-7-26)21-16(11-23)25-19(32-21)14-2-3-14/h4-5,10,12,14H,2-3,6-9H2,1H3