4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide

Systemtic Name: 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide Openeye Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]butanamide CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide IUPAC Name: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide Traditional Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]butyramide Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H20ClN5O3S/c1-10-5-6-12-13(9-20)18(28-14(12)8-10)21-15(25)4-3-7-23-11(2)16(19)17(22-23)24(26)27/h10H,3-8H2,1-2H3,(H,21,25)/t10-/m1/s1