N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NN=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NN=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H15ClN4O3S/c19-12-2-1-3-14(8-12)23-10-20-22-18(23)27-7-6-17(24)21-13-4-5-15-16(9-13)26-11-25-15/h1-5,8-10H,6-7,11H2,(H,21,24)