1-[3-methyl-1-(phenylmethyl)-1,2,3,4-tetrazol-1-ium-5-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-methyl-1-(phenylmethyl)-1,2,3,4-tetrazol-1-ium-5-yl]-3-phenyl-thiourea Openeye Name: 1-(1-benzyl-3-methyl-tetrazol-1-ium-5-yl)-3-phenyl-thiourea CAS Name: 1-[3-methyl-1-(phenylmethyl)-5-tetrazol-1-iumyl]-3-phenylthiourea IUPAC Name: 1-(1-benzyl-3-methyltetrazol-1-ium-5-yl)-3-phenylthiourea Traditional Name: 1-(1-benzyl-3-methyl-tetrazol-1-ium-5-yl)-3-phenyl-thiourea Formula: C16H17N6S+ MolecularWeight: 325.41138

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C([N+](=N1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CN1N=C([N+](=N1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H16N6S/c1-21-19-15(18-16(23)17-14-10-6-3-7-11-14)22(20-21)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H-,17,18,19,20,23)/p+1