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

Systemtic Name: 1-methyl-3-[3-(5-sulfanyl-1,2,3,4-tetrazol-5-yl)phenyl]urea; 4-phenyl-3H-1,3-oxazole-2-thione Openeye Name: 1-methyl-3-[3-(5-sulfanyltetrazol-5-yl)phenyl]urea; 4-phenyl-3H-oxazole-2-thione CAS Name: 1-[3-(5-mercapto-5-tetrazolyl)phenyl]-3-methylurea; 4-phenyl-3H-oxazole-2-thione IUPAC Name: 1-methyl-3-[3-(5-sulfanyltetrazol-5-yl)phenyl]urea; 4-phenyl-3H-1,3-oxazole-2-thione Traditional Name: 1-[3-(5-mercaptotetrazol-5-yl)phenyl]-3-methyl-urea; 4-phenyl-4-oxazoline-2-thione Formula: C18H17N7O2S2 MolecularWeight: 427.50328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N6OS.C9H7NOS/c1-10-8(16)11-7-4-2-3-6(5-7)9(17)12-14-15-13-9;12-9-10-8(6-11-9)7-4-2-1-3-5-7/h2-5,17H,1H3,(H2,10,11,16);1-6H,(H,10,12)