N-methyl-4-[[methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide Openeye Name: N-methyl-4-[[methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]methyl]benzamide CAS Name: N-methyl-4-[[methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide Traditional Name: N-methyl-4-[[methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]methyl]benzamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=NC=C3

InChI

InChI=1S/C21H26N6OS/c1-4-13-26-19(17-9-11-23-12-10-17)24-27(21(26)29)15-25(3)14-16-5-7-18(8-6-16)20(28)22-2/h5-12H,4,13-15H2,1-3H3,(H,22,28)