1-(4-bromanyl-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-1,2,3,4-tetrazole Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole CAS Name: 1-(4-bromo-3-methylphenyl)-5-(prop-2-ynylthio)tetrazole IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-prop-2-ynylsulfanyltetrazole Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-(propargylthio)tetrazole Formula: C11H9BrN4S MolecularWeight: 309.18496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br

InChI

InChI=1S/C11H9BrN4S/c1-3-6-17-11-13-14-15-16(11)9-4-5-10(12)8(2)7-9/h1,4-5,7H,6H2,2H3