4-azanyl-N-phenyl-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide hydrate

Systemtic Name: 4-azanyl-N-phenyl-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide hydrate Openeye Name: 4-amino-3-benzyl-N-phenyl-2-thioxo-thiazole-5-carboxamide hydrate CAS Name: 4-amino-N-phenyl-3-(phenylmethyl)-2-sulfanylidene-5-thiazolecarboxamide hydrate IUPAC Name: 4-amino-3-benzyl-N-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide hydrate Traditional Name: 4-amino-3-benzyl-N-phenyl-2-thioxo-4-thiazoline-5-carboxamide hydrate Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(SC2=S)C(=O)NC3=CC=CC=C3)N.O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(SC2=S)C(=O)NC3=CC=CC=C3)N.O

InChI

InChI=1S/C17H15N3OS2.H2O/c18-15-14(16(21)19-13-9-5-2-6-10-13)23-17(22)20(15)11-12-7-3-1-4-8-12;/h1-10H,11,18H2,(H,19,21);1H2