2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylidene]-1-benzothiophen-3-one

Systemtic Name: 2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylidene]-1-benzothiophen-3-one Openeye Name: 2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylene]benzothiophen-3-one CAS Name: 2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitrophenyl]methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]methylidene]-1-benzothiophen-3-one Traditional Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitro-benzylidene]benzothiophen-3-one Formula: C18H11N3O3S3 MolecularWeight: 413.49324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O3S3/c1-10-19-20-18(25-10)27-15-7-6-11(8-13(15)21(23)24)9-16-17(22)12-4-2-3-5-14(12)26-16/h2-9H,1H3