N-ethyl-4-(1-methyl-1,2,3,4-tetrazol-5-yl)-N-pyridin-3-yl-butanethioamide

Systemtic Name: N-ethyl-4-(1-methyl-1,2,3,4-tetrazol-5-yl)-N-pyridin-3-yl-butanethioamide Openeye Name: N-ethyl-4-(1-methyltetrazol-5-yl)-N-(3-pyridyl)butanethioamide CAS Name: N-ethyl-4-(1-methyl-5-tetrazolyl)-N-(3-pyridinyl)butanethioamide IUPAC Name: N-ethyl-4-(1-methyltetrazol-5-yl)-N-pyridin-3-ylbutanethioamide Traditional Name: N-ethyl-4-(1-methyltetrazol-5-yl)-N-(3-pyridyl)thiobutyramide Formula: C13H18N6S MolecularWeight: 290.38722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN=CC=C1)C(=S)CCCC2=NN=NN2C

Isomeric SMILES

CCN(C1=CN=CC=C1)C(=S)CCCC2=NN=NN2C

InChI

InChI=1S/C13H18N6S/c1-3-19(11-6-5-9-14-10-11)13(20)8-4-7-12-15-16-17-18(12)2/h5-6,9-10H,3-4,7-8H2,1-2H3