ethyl (Z)-2-azido-3-[3-methyl-2-(phenylmethylsulfanyl)imidazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-azido-3-[3-methyl-2-(phenylmethylsulfanyl)imidazol-4-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-azido-3-(2-benzylsulfanyl-3-methyl-imidazol-4-yl)prop-2-enoate CAS Name: (Z)-2-azido-3-[3-methyl-2-(phenylmethylthio)-4-imidazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-azido-3-(2-benzylsulfanyl-3-methylimidazol-4-yl)prop-2-enoate Traditional Name: (Z)-2-azido-3-[2-(benzylthio)-3-methyl-imidazol-4-yl]acrylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN=C(N1C)SCC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN=C(N1C)SCC2=CC=CC=C2)/N=[N+]=[N-]

InChI

InChI=1S/C16H17N5O2S/c1-3-23-15(22)14(19-20-17)9-13-10-18-16(21(13)2)24-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3/b14-9-