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

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C14H9N5O2S3 MolecularWeight: 375.44856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C14H9N5O2S3/c1-18-12(10-3-2-6-22-10)16-17-13(18)24-14-15-9-5-4-8(19(20)21)7-11(9)23-14/h2-7H,1H3