N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-11-2-7-15-16(8-11)27-18(20-15)21-17(24)12-9-19-22(10-12)13-3-5-14(6-4-13)23(25)26/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24)