5-nitro-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]benzonitrile IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C16H11N5O2S2 MolecularWeight: 369.42084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H11N5O2S2/c17-9-12-8-13(21(22)23)6-7-14(12)24-16-20-19-15(25-16)18-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,18,19)