1-(3-methylphenyl)-3-[3-(3-methyl-5-sulfanylidene-1H-1,2,3,4-tetrazol-3-ium-4-yl)phenyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[3-(3-methyl-5-sulfanylidene-1H-1,2,3,4-tetrazol-3-ium-4-yl)phenyl]urea Openeye Name: 1-[3-(3-methyl-5-thioxo-1H-tetrazol-3-ium-4-yl)phenyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[3-(3-methyl-5-sulfanylidene-1H-tetrazol-3-ium-4-yl)phenyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[3-(3-methyl-5-sulfanylidene-1H-tetrazol-3-ium-4-yl)phenyl]urea Traditional Name: 1-[3-(3-methyl-5-thioxo-1H-tetrazol-3-ium-4-yl)phenyl]-3-(m-tolyl)urea Formula: C16H17N6OS+ MolecularWeight: 341.41078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)N3C(=S)NN=[N+]3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)N3C(=S)NN=[N+]3C

InChI

InChI=1S/C16H16N6OS/c1-11-5-3-6-12(9-11)17-15(23)18-13-7-4-8-14(10-13)22-16(24)19-20-21(22)2/h3-10H,1-2H3,(H2,17,18,23)/p+1