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

Systemtic Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C19H17N5O2S3 MolecularWeight: 443.56558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C19H17N5O2S3/c25-24(26)13-8-9-14-16(11-13)28-19(20-14)29-18-22-21-17(15-7-4-10-27-15)23(18)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2