2-(4-methylphenyl)sulfanylethyl (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate

Systemtic Name: 2-(4-methylphenyl)sulfanylethyl (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: 2-(p-tolylsulfanyl)ethyl (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)prop-2-enoate CAS Name: (Z)-2-(5-phenyl-1-tetrazolyl)-3-thiophen-2-yl-2-propenoic acid 2-[(4-methylphenyl)thio]ethyl ester IUPAC Name: 2-(4-methylphenyl)sulfanylethyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)acrylic acid 2-(p-tolylthio)ethyl ester Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S2/c1-17-9-11-19(12-10-17)31-15-13-29-23(28)21(16-20-8-5-14-30-20)27-22(24-25-26-27)18-6-3-2-4-7-18/h2-12,14,16H,13,15H2,1H3/b21-16-