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

Systemtic Name: 1-methyl-3-[3-(5-sulfanyl-2,5-dihydro-1,2,3,4-tetrazol-1-yl)phenyl]urea Openeye Name: 1-methyl-3-[3-(5-sulfanyl-2,5-dihydrotetrazol-1-yl)phenyl]urea CAS Name: 1-[3-(5-mercapto-2,5-dihydrotetrazol-1-yl)phenyl]-3-methylurea IUPAC Name: 1-methyl-3-[3-(5-sulfanyl-2,5-dihydrotetrazol-1-yl)phenyl]urea Traditional Name: 1-[3-(5-mercapto-2,5-dihydrotetrazol-1-yl)phenyl]-3-methyl-urea Formula: C9H12N6OS MolecularWeight: 252.29618

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC(=C1)N2C(N=NN2)S

Isomeric SMILES

CNC(=O)NC1=CC=CC(=C1)N2C(N=NN2)S

InChI

InChI=1S/C9H12N6OS/c1-10-8(16)11-6-3-2-4-7(5-6)15-9(17)12-13-14-15/h2-5,9,17H,1H3,(H,12,14)(H2,10,11,16)