3-[3-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S2/c20-16(25)5-7-24-18(15-2-1-8-29-15)22-23-19(24)30-9-6-17(26)21-12-3-4-13-14(10-12)28-11-27-13/h1-4,8,10H,5-7,9,11H2,(H2,20,25)(H,21,26)