N-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5OS/c1-15-18(8-5-9-19(15)22)20-11-10-17(28-20)14-23-12-13-29-21-24-25-26-27(21)16-6-3-2-4-7-16/h2-11,23H,12-14H2,1H3