1-methyl-3-[3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)phenyl]urea

Systemtic Name: 1-methyl-3-[3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)phenyl]urea Openeye Name: 1-methyl-3-[3-(5-sulfanyltetrazol-5-yl)phenyl]urea CAS Name: 1-[3-(5-mercapto-5-tetrazolyl)phenyl]-3-methylurea IUPAC Name: 1-methyl-3-[3-(5-sulfanyltetrazol-5-yl)phenyl]urea Traditional Name: 1-[3-(5-mercaptotetrazol-5-yl)phenyl]-3-methyl-urea Formula: C9H10N6OS MolecularWeight: 250.2803

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC(=C1)C2(N=NN=N2)S

Isomeric SMILES

CNC(=O)NC1=CC=CC(=C1)C2(N=NN=N2)S

InChI

InChI=1S/C9H10N6OS/c1-10-8(16)11-7-4-2-3-6(5-7)9(17)12-14-15-13-9/h2-5,17H,1H3,(H2,10,11,16)