tert-butyl-[(E)-3-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]prop-2-enyl]azanium

Systemtic Name: tert-butyl-[(E)-3-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]prop-2-enyl]azanium Openeye Name: tert-butyl-[(E)-3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanyl-allyl]ammonium CAS Name: tert-butyl-[(E)-3-phenyl-3-[(1-phenyl-5-tetrazolyl)thio]prop-2-enyl]ammonium IUPAC Name: tert-butyl-[(E)-3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylprop-2-enyl]azanium Traditional Name: tert-butyl-[(E)-3-phenyl-3-[(1-phenyltetrazol-5-yl)thio]allyl]ammonium Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC=C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[NH2+]C/C=C(\C1=CC=CC=C1)/SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H23N5S/c1-20(2,3)21-15-14-18(16-10-6-4-7-11-16)26-19-22-23-24-25(19)17-12-8-5-9-13-17/h4-14,21H,15H2,1-3H3/p+1/b18-14+