2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide; propan-2-ol

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide; propan-2-ol Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide; propan-2-ol CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide; 2-propanol IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide; propan-2-ol Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide; propan-2-ol Formula: C15H18N6O4S2 MolecularWeight: 410.47122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CN1C=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)O.CN1C=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3S2.C3H8O/c1-17-6-13-16-12(17)22-5-10(19)15-11-14-8-3-2-7(18(20)21)4-9(8)23-11;1-3(2)4/h2-4,6H,5H2,1H3,(H,14,15,19);3-4H,1-2H3