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

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

Systemtic Name:3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide
Openeye Name:4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzamide
CAS Name:3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]benzamide
IUPAC Name:3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylbenzamide
Traditional Name:4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-benzamide
Formula: C11H12N6O3S
MolecularWeight: 308.31638
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H12N6O3S/c1-6(2)16-11(13-14-15-16)21-9-4-3-7(10(12)18)5-8(9)17(19)20/h3-6H,1-2H3,(H2,12,18)


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