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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C20H13N5O3S3 MolecularWeight: 467.54392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C20H13N5O3S3/c1-28-14-7-4-12(5-8-14)24-18(16-3-2-10-29-16)22-23-19(24)31-20-21-15-9-6-13(25(26)27)11-17(15)30-20/h2-11H,1H3