3-[2-[azanyl-[(4-nitrophenyl)methyl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile

Systemtic Name: 3-[2-[azanyl-[(4-nitrophenyl)methyl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile Openeye Name: 3-[2-[amino-[(4-nitrophenyl)methyl]amino]acetyl]thiazolidine-4-carbonitrile CAS Name: 3-[2-[amino-[(4-nitrophenyl)methyl]amino]-1-oxoethyl]-4-thiazolidinecarbonitrile IUPAC Name: 3-[2-[amino-[(4-nitrophenyl)methyl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile Traditional Name: 3-[2-[amino-(4-nitrobenzyl)amino]acetyl]thiazolidine-4-carbonitrile Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)CN(CC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1C(N(CS1)C(=O)CN(CC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C13H15N5O3S/c14-5-12-8-22-9-17(12)13(19)7-16(15)6-10-1-3-11(4-2-10)18(20)21/h1-4,12H,6-9,15H2