3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C19H23N5OS3 MolecularWeight: 433.61382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C19H23N5OS3/c25-17(6-9-24-18(20-21-19(24)26)16-5-2-13-28-16)23-8-3-7-22(10-11-23)14-15-4-1-12-27-15/h1-2,4-5,12-13H,3,6-11,14H2,(H,21,26)