N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)CN4C(=CC(=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)CN4C(=CC(=N4)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N5O3S2/c1-10-4-3-5-13-16(10)19-18(28-13)20-17(24)14-7-12(9-27-14)8-22-11(2)6-15(21-22)23(25)26/h3-7,9H,8H2,1-2H3,(H,19,20,24)