[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]methyl carbamimidothioate

Systemtic Name: [1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]methyl carbamimidothioate Openeye Name: 2-[[1-(p-tolyl)tetrazol-5-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [1-(4-methylphenyl)-5-tetrazolyl]methyl ester IUPAC Name: [1-(4-methylphenyl)tetrazol-5-yl]methyl carbamimidothioate Traditional Name: 2-[[1-(p-tolyl)tetrazol-5-yl]methyl]isothiourea Formula: C10H12N6S MolecularWeight: 248.30748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)CSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)CSC(=N)N

InChI

InChI=1S/C10H12N6S/c1-7-2-4-8(5-3-7)16-9(13-14-15-16)6-17-10(11)12/h2-5H,6H2,1H3,(H3,11,12)