1-(1,3-benzodioxol-5-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S2/c22-14(13-6-7-15-16(8-13)24-11-23-15)10-25-18-21-20-17(26-18)19-9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,20)