1-ethyl-3-methyl-5-[1-(phenylmethyl)-5-(phenylmethylsulfanyl)pyrrol-2-yl]pyrazole

Systemtic Name: 1-ethyl-3-methyl-5-[1-(phenylmethyl)-5-(phenylmethylsulfanyl)pyrrol-2-yl]pyrazole Openeye Name: 5-(1-benzyl-5-benzylsulfanyl-pyrrol-2-yl)-1-ethyl-3-methyl-pyrazole CAS Name: 1-ethyl-3-methyl-5-[1-(phenylmethyl)-5-(phenylmethylthio)-2-pyrrolyl]pyrazole IUPAC Name: 5-(1-benzyl-5-benzylsulfanylpyrrol-2-yl)-1-ethyl-3-methylpyrazole Traditional Name: 5-[1-benzyl-5-(benzylthio)pyrrol-2-yl]-1-ethyl-3-methyl-pyrazole Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2=CC=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C2=CC=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3S/c1-3-27-23(16-19(2)25-27)22-14-15-24(28-18-21-12-8-5-9-13-21)26(22)17-20-10-6-4-7-11-20/h4-16H,3,17-18H2,1-2H3