3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]ammonium CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[3-[(1-phenyltetrazol-5-yl)thio]propyl]ammonium Formula: C20H26N5S+ MolecularWeight: 368.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH2+]CCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH2+]CCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H25N5S/c1-16(2)18-11-9-17(10-12-18)15-21-13-6-14-26-20-22-23-24-25(20)19-7-4-3-5-8-19/h3-5,7-12,16,21H,6,13-15H2,1-2H3/p+1