2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[5-(3-nitrophenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H13N5O2S/c18-9-14-13-6-1-2-7-15(13)25-17(14)21-16(19-10-20-21)11-4-3-5-12(8-11)22(23)24/h3-5,8,10H,1-2,6-7H2