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

Systemtic Name: 6-nitro-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole Formula: C22H15N5O2S2 MolecularWeight: 445.5168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C22H15N5O2S2/c28-27(29)17-11-12-18-19(13-17)30-22(23-18)31-21-25-24-20(16-9-5-2-6-10-16)26(21)14-15-7-3-1-4-8-15/h1-13H,14H2