N-[3-[4-(azocan-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide

Systemtic Name: N-[3-[4-(azocan-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(azocan-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(1-azocanyl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(azocan-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(azocan-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCCCC3

Isomeric SMILES

CC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCCCC3

InChI

InChI=1S/C21H26N4OS/c1-18-23-25(17-11-10-16-24-14-8-3-2-4-9-15-24)21(27-18)22-20(26)19-12-6-5-7-13-19/h5-7,12-13H,2-4,8-9,14-17H2,1H3