3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane

Systemtic Name: 3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Openeye Name: 3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane CAS Name: 3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane IUPAC Name: 3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Traditional Name: 3-methyl-N-propyl-N-prop-1-ynyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Formula: C14H25N5O3S MolecularWeight: 343.445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.CCCN(C#CC)C(=O)N1C=NC(=N1)C

Isomeric SMILES

CCCCNS(=O)O.CCCN(C#CC)C(=O)N1C=NC(=N1)C

InChI

InChI=1S/C10H14N4O.C4H11NO2S/c1-4-6-13(7-5-2)10(15)14-8-11-9(3)12-14;1-2-3-4-5-8(6)7/h8H,4,6H2,1-3H3;5H,2-4H2,1H3,(H,6,7)