1-[3-[2-(methoxymethyl)-1,2,3,4-tetrazol-5-yl]piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one

Systemtic Name: 1-[3-[2-(methoxymethyl)-1,2,3,4-tetrazol-5-yl]piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[3-[2-(methoxymethyl)tetrazol-5-yl]-1-piperidyl]prop-2-en-1-one CAS Name: 1-[3-[2-(methoxymethyl)-5-tetrazolyl]-1-piperidinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[3-[2-(methoxymethyl)tetrazol-5-yl]piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-[3-[2-(methoxymethyl)tetrazol-5-yl]piperidino]-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)C4=NN(N=N4)COC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)C4=NN(N=N4)COC)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O4S/c1-17(2)21-9-5-6-10-23(21)37-24-12-11-19(14-22(24)32(34)35)18(3)26(33)30-13-7-8-20(15-30)25-27-29-31(28-25)16-36-4/h5-6,9-12,14,17,20H,3,7-8,13,15-16H2,1-2,4H3