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

Systemtic Name: 6-nitro-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H15N5O2S3 MolecularWeight: 465.5711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H15N5O2S3/c27-26(28)15-8-9-16-18(13-15)30-21(22-16)31-20-24-23-19(17-7-4-12-29-17)25(20)11-10-14-5-2-1-3-6-14/h1-9,12-13H,10-11H2