(3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile

Systemtic Name: (3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile Openeye Name: (3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile CAS Name: (3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile IUPAC Name: (3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile Traditional Name: (3aR,8aS)-2-[5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(CC1)SC(=C2C#N)N3C(=NC=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[C@H]2[C@H](CC1)SC(=C2C#N)N3C(=NC=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H18N4O2S/c20-9-14-13-4-2-1-3-5-17(13)26-19(14)23-18(21-10-22-23)12-6-7-15-16(8-12)25-11-24-15/h6-8,10,13,17H,1-5,11H2/t13-,17+/m1/s1