[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]-phenyl-methanone Openeye Name: [4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]-phenylmethanone Traditional Name: [4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-11(2)21-17(18-19-20-21)26-15-9-8-13(10-14(15)22(24)25)16(23)12-6-4-3-5-7-12/h3-11H,1-2H3