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

Systemtic Name: 6-nitro-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)thio]-6-nitro-1,3-benzothiazole Formula: C16H10N4O2S3 MolecularWeight: 386.4712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O2S3/c21-20(22)11-6-7-12-13(9-11)23-15(17-12)25-16-19-18-14(24-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2