2-[1-azanyl-5-(4-chlorophenyl)pyrrol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[1-azanyl-5-(4-chlorophenyl)pyrrol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[1-amino-5-(4-chlorophenyl)pyrrol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[1-amino-5-(4-chlorophenyl)-2-pyrrolyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[1-amino-5-(4-chlorophenyl)pyrrol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[1-amino-5-(4-chlorophenyl)pyrrol-2-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN3O3S/c20-13-3-1-12(2-4-13)15-6-8-19(23(15)21)27-10-18(24)22-14-5-7-16-17(9-14)26-11-25-16/h1-9H,10-11,21H2,(H,22,24)